NP-MRD: Showing NP-Card for Alterporriol T (NP0013213)

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Record Information

Version

1.0

Created at

2021-01-05 22:38:58 UTC

Updated at

2021-07-15 17:13:52 UTC

NP-MRD ID

NP0013213

Secondary Accession Numbers

None

Natural Product Identification

Common Name

Alterporriol T

Provided By

NPAtlas

Description

Alterporriol T is found in Stemphylium sp. 33231. It was first documented in 2014 (PMID: 25136754). Based on a literature review very few articles have been published on (6R,6'S,7R,7'R,8R)-1',4,6,6',7,7',8-heptahydroxy-2,3'-dimethoxy-6',7-dimethyl-5H,5'H,6H,6'H,7H,7'H,8H,8'H,9H,9'H,10H,10'H-[1,2'-bianthracene]-9,9',10,10'-tetrone.

Structure

MOL 3D MOL SDF 3D SDF PDB SMILES InChI


  Mrv1652306242119343D          

 75 80  0  0  0  0            999 V2000
   -0.1432   -1.7935   -4.1119 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5114   -0.7226   -3.3061 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.5412   -0.6817   -2.0201 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.6290    1.4608   -0.5116 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END

     RDKit          3D

 75 80  0  0  0  0  0  0  0  0999 V2000
   -0.1432   -1.7935   -4.1119 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5114   -0.7226   -3.3061 O   0  0  0  0  0  0  0  0  0  0  0  0
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 12 13  1  0
 11 14  1  0
 14 15  2  0
 15 16  1  0
 15 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 19 21  1  0
 21 22  2  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 24 26  1  0
 26 27  1  0
 26 28  1  6
 26 29  1  0
 29 30  1  0
 22 31  1  0
 31 32  2  0
  6 33  1  0
 33 34  2  0
 33 35  1  0
 35 36  2  0
 36 37  1  0
 37 38  1  0
 38 39  1  0
 38 40  1  1
 38 41  1  0
 41 42  1  0
 41 43  1  0
 36 44  1  0
 44 45  2  0
  9  3  1  0
 18 10  1  0
 29 21  1  0
 43 35  1  0
 44  5  1  0
 31 17  1  0
  1 46  1  0
  1 47  1  0
  1 48  1  0
  4 49  1  0
  8 50  1  0
 13 51  1  0
 13 52  1  0
 13 53  1  0
 14 54  1  0
 16 55  1  0
 23 56  1  0
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 24 58  1  1
 25 59  1  0
 27 60  1  0
 27 61  1  0
 27 62  1  0
 28 63  1  0
 29 64  1  6
 30 65  1  0
 37 66  1  0
 37 67  1  0
 39 68  1  0
 39 69  1  0
 39 70  1  0
 40 71  1  0
 41 72  1  6
 42 73  1  0
 43 74  1  0
 43 75  1  0
M  END


  Mrv1652306242119343D          

 75 80  0  0  0  0            999 V2000
   -0.1432   -1.7935   -4.1119 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5114   -0.7226   -3.3061 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2939   -0.1818   -2.2962 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5412   -0.6817   -2.0201 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3137   -0.1207   -1.0112 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8851    0.9524   -0.2385 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6290    1.4608   -0.5116 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1133    2.5123    0.1876 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1342    0.8726   -1.5411 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4560    1.4150   -1.8227 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6849    2.4203   -2.7173 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5800    2.9491   -3.3912 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6898    3.9872   -4.3364 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9708    2.8736   -2.9246 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0452    2.3195   -2.2324 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3522    2.7556   -2.4204 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8219    1.2991   -1.3228 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5278    0.8553   -1.1257 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3447   -0.2124   -0.1658 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1709   -0.6267    0.0237 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4661   -0.8228    0.5862 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6834   -0.4111    0.4057 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8827   -0.9684    1.1166 C   0  0  1  0  0  0  0  0  0  0  0  0
   -5.4555   -1.7999    2.2693 C   0  0  1  0  0  0  0  0  0  0  0  0
   -6.4704   -2.5898    2.7747 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3021   -2.7221    1.9209 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.0253   -3.5697    3.1431 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6476   -3.5431    0.8555 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0859   -1.9234    1.5486 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.6561   -1.2683    2.7122 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9063    0.6856   -0.5743 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0965    1.0832   -0.7457 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7363    1.5010    0.8051 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3783    2.4698    1.5200 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0815    0.9343    1.0749 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4818   -0.0751    0.3460 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8128   -0.7497    0.4975 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.3951   -0.3550    1.8249 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.8202   -0.8563    1.8744 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6363   -0.8592    2.8689 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3408    1.1728    1.9424 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.1484    1.5732    3.0025 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9035    1.5494    2.1682 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6343   -0.6530   -0.7233 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0194   -1.6237   -1.4238 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2911   -1.3543   -5.0582 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5295   -2.5252   -3.6642 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1039   -2.2714   -4.4684 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9398   -1.5292   -2.5945 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4439    3.0488    0.9047 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2470    3.9455   -4.9537 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5838    3.8109   -4.9336 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6679    4.9940   -3.8571 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1552    3.6629   -3.6262 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6131    3.4832   -3.0519 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5208   -0.1444    1.4936 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4973   -1.5938    0.4271 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1146   -1.1408    3.0853 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2514   -2.6415    2.1694 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9335   -4.6530    2.8578 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8928   -3.5341    3.8608 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1428   -3.2349    3.7107 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6537   -4.4951    1.1294 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3198   -2.5693    1.1155 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0725   -0.3718    2.7873 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4568   -0.3870   -0.3295 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6229   -1.8373    0.4467 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9496   -1.7961    1.3025 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0667   -1.0678    2.9292 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5545   -0.1407    1.4786 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2090   -1.4616    3.4059 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6804    1.6038    0.9903 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0871    1.7401    2.6976 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8545    2.6736    2.0674 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5364    1.2748    3.1713 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
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 17 18  2  0  0  0  0
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 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  1  0  0  0  0
 26 27  1  0  0  0  0
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 26 29  1  0  0  0  0
 29 30  1  0  0  0  0
 22 31  1  0  0  0  0
 31 32  2  0  0  0  0
  6 33  1  0  0  0  0
 33 34  2  0  0  0  0
 33 35  1  0  0  0  0
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 41 42  1  0  0  0  0
 41 43  1  0  0  0  0
 36 44  1  0  0  0  0
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  9  3  1  0  0  0  0
 18 10  1  0  0  0  0
 29 21  1  0  0  0  0
 43 35  1  0  0  0  0
 44  5  1  0  0  0  0
 31 17  1  0  0  0  0
  1 46  1  0  0  0  0
  1 47  1  0  0  0  0
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  4 49  1  0  0  0  0
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 27 60  1  0  0  0  0
 27 61  1  0  0  0  0
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 29 64  1  6  0  0  0
 30 65  1  0  0  0  0
 37 66  1  0  0  0  0
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 39 68  1  0  0  0  0
 39 69  1  0  0  0  0
 39 70  1  0  0  0  0
 40 71  1  0  0  0  0
 41 72  1  6  0  0  0
 42 73  1  0  0  0  0
 43 74  1  0  0  0  0
 43 75  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0013213

> <DATABASE_NAME>
NP-MRD

> <SMILES>
[H]OC1=C([H])C(OC([H])([H])[H])=C(C2=C(O[H])C3=C(C([H])=C2OC([H])([H])[H])C(=O)C2=C(C3=O)C([H])([H])[C@@]([H])(O[H])[C@](O[H])(C([H])([H])[H])C2([H])[H])C2=C1C(=O)C1=C(C2=O)[C@@]([H])(O[H])[C@@](O[H])(C([H])([H])[H])[C@]([H])(O[H])C1([H])[H]

> <INCHI_IDENTIFIER>
InChI=1S/C32H30O13/c1-31(42)9-13-10(6-17(31)34)26(37)19-11(25(13)36)5-15(44-3)23(28(19)39)22-16(45-4)8-14(33)21-24(22)29(40)20-12(27(21)38)7-18(35)32(2,43)30(20)41/h5,8,17-18,30,33-35,39,41-43H,6-7,9H2,1-4H3/t17-,18-,30-,31+,32-/m1/s1

> <INCHI_KEY>
IEFTVHHVCNGFFB-CYFFLJPJSA-N

> <FORMULA>
C32H30O13

> <MOLECULAR_WEIGHT>
622.579

> <EXACT_MASS>
622.168641026

> <JCHEM_ACCEPTOR_COUNT>
13

> <JCHEM_ATOM_COUNT>
75

> <JCHEM_AVERAGE_POLARIZABILITY>
61.78048162293653

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
7

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(6R,6'S,7R,7'R,8R)-1',4,6,6',7,7',8-heptahydroxy-2,3'-dimethoxy-6',7-dimethyl-5H,5'H,6H,6'H,7H,7'H,8H,8'H,9H,9'H,10H,10'H-[1,2'-bianthracene]-9,9',10,10'-tetrone

> <ALOGPS_LOGP>
2.11

> <JCHEM_LOGP>
0.1920800063333331

> <ALOGPS_LOGS>
-2.99

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
6

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
8.018030515329965

> <JCHEM_PKA_STRONGEST_ACIDIC>
7.1845943799905205

> <JCHEM_PKA_STRONGEST_BASIC>
-3.253299512508928

> <JCHEM_POLAR_SURFACE_AREA>
228.34999999999994

> <JCHEM_REFRACTIVITY>
157.10670000000002

> <JCHEM_ROTATABLE_BOND_COUNT>
2

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
6.30e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(6R,6'S,7R,7'R,8R)-1',4,6,6',7,7',8-heptahydroxy-2,3'-dimethoxy-6',7-dimethyl-5H,5'H,6H,7'H,8H,8'H-[1,2'-bianthracene]-9,9',10,10'-tetrone

> <JCHEM_VEBER_RULE>
0

$$$$

     RDKit          3D

 75 80  0  0  0  0  0  0  0  0999 V2000
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   -0.5114   -0.7226   -3.3061 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.3137   -0.1207   -1.0112 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8851    0.9524   -0.2385 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6290    1.4608   -0.5116 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1133    2.5123    0.1876 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -5.8827   -0.9684    1.1166 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.3783    2.4698    1.5200 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0815    0.9343    1.0749 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4818   -0.0751    0.3460 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8128   -0.7497    0.4975 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3951   -0.3550    1.8249 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.8202   -0.8563    1.8744 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6363   -0.8592    2.8689 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3408    1.1728    1.9424 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.1484    1.5732    3.0025 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9035    1.5494    2.1682 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6343   -0.6530   -0.7233 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0194   -1.6237   -1.4238 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2911   -1.3543   -5.0582 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5295   -2.5252   -3.6642 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1039   -2.2714   -4.4684 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9398   -1.5292   -2.5945 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4439    3.0488    0.9047 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2470    3.9455   -4.9537 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5838    3.8109   -4.9336 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6679    4.9940   -3.8571 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1552    3.6629   -3.6262 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6131    3.4832   -3.0519 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5208   -0.1444    1.4936 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4973   -1.5938    0.4271 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1146   -1.1408    3.0853 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2514   -2.6415    2.1694 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9335   -4.6530    2.8578 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8928   -3.5341    3.8608 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1428   -3.2349    3.7107 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6537   -4.4951    1.1294 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3198   -2.5693    1.1155 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0725   -0.3718    2.7873 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4568   -0.3870   -0.3295 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6229   -1.8373    0.4467 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9496   -1.7961    1.3025 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0667   -1.0678    2.9292 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5545   -0.1407    1.4786 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2090   -1.4616    3.4059 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6804    1.6038    0.9903 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0871    1.7401    2.6976 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8545    2.6736    2.0674 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5364    1.2748    3.1713 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  1  0
  7  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  1  0
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 15 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 19 21  1  0
 21 22  2  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 24 26  1  0
 26 27  1  0
 26 28  1  6
 26 29  1  0
 29 30  1  0
 22 31  1  0
 31 32  2  0
  6 33  1  0
 33 34  2  0
 33 35  1  0
 35 36  2  0
 36 37  1  0
 37 38  1  0
 38 39  1  0
 38 40  1  1
 38 41  1  0
 41 42  1  0
 41 43  1  0
 36 44  1  0
 44 45  2  0
  9  3  1  0
 18 10  1  0
 29 21  1  0
 43 35  1  0
 44  5  1  0
 31 17  1  0
  1 46  1  0
  1 47  1  0
  1 48  1  0
  4 49  1  0
  8 50  1  0
 13 51  1  0
 13 52  1  0
 13 53  1  0
 14 54  1  0
 16 55  1  0
 23 56  1  0
 23 57  1  0
 24 58  1  1
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 27 61  1  0
 27 62  1  0
 28 63  1  0
 29 64  1  6
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 37 66  1  0
 37 67  1  0
 39 68  1  0
 39 69  1  0
 39 70  1  0
 40 71  1  0
 41 72  1  6
 42 73  1  0
 43 74  1  0
 43 75  1  0
M  END

HEADER    PROTEIN                                 24-JUN-21   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   24-JUN-21         0                                  
HETATM    1  C   UNK     0      -0.143  -1.794  -4.112  0.00  0.00           C+0
HETATM    2  O   UNK     0      -0.511  -0.723  -3.306  0.00  0.00           O+0
HETATM    3  C   UNK     0       0.294  -0.182  -2.296  0.00  0.00           C+0
HETATM    4  C   UNK     0       1.541  -0.682  -2.020  0.00  0.00           C+0
HETATM    5  C   UNK     0       2.314  -0.121  -1.011  0.00  0.00           C+0
HETATM    6  C   UNK     0       1.885   0.952  -0.239  0.00  0.00           C+0
HETATM    7  C   UNK     0       0.629   1.461  -0.512  0.00  0.00           C+0
HETATM    8  O   UNK     0       0.113   2.512   0.188  0.00  0.00           O+0
HETATM    9  C   UNK     0      -0.134   0.873  -1.541  0.00  0.00           C+0
HETATM   10  C   UNK     0      -1.456   1.415  -1.823  0.00  0.00           C+0
HETATM   11  C   UNK     0      -1.685   2.420  -2.717  0.00  0.00           C+0
HETATM   12  O   UNK     0      -0.580   2.949  -3.391  0.00  0.00           O+0
HETATM   13  C   UNK     0      -0.690   3.987  -4.336  0.00  0.00           C+0
HETATM   14  C   UNK     0      -2.971   2.874  -2.925  0.00  0.00           C+0
HETATM   15  C   UNK     0      -4.045   2.320  -2.232  0.00  0.00           C+0
HETATM   16  O   UNK     0      -5.352   2.756  -2.420  0.00  0.00           O+0
HETATM   17  C   UNK     0      -3.822   1.299  -1.323  0.00  0.00           C+0
HETATM   18  C   UNK     0      -2.528   0.855  -1.126  0.00  0.00           C+0
HETATM   19  C   UNK     0      -2.345  -0.212  -0.166  0.00  0.00           C+0
HETATM   20  O   UNK     0      -1.171  -0.627   0.024  0.00  0.00           O+0
HETATM   21  C   UNK     0      -3.466  -0.823   0.586  0.00  0.00           C+0
HETATM   22  C   UNK     0      -4.683  -0.411   0.406  0.00  0.00           C+0
HETATM   23  C   UNK     0      -5.883  -0.968   1.117  0.00  0.00           C+0
HETATM   24  C   UNK     0      -5.455  -1.800   2.269  0.00  0.00           C+0
HETATM   25  O   UNK     0      -6.470  -2.590   2.775  0.00  0.00           O+0
HETATM   26  C   UNK     0      -4.302  -2.722   1.921  0.00  0.00           C+0
HETATM   27  C   UNK     0      -4.025  -3.570   3.143  0.00  0.00           C+0
HETATM   28  O   UNK     0      -4.648  -3.543   0.856  0.00  0.00           O+0
HETATM   29  C   UNK     0      -3.086  -1.923   1.549  0.00  0.00           C+0
HETATM   30  O   UNK     0      -2.656  -1.268   2.712  0.00  0.00           O+0
HETATM   31  C   UNK     0      -4.906   0.686  -0.574  0.00  0.00           C+0
HETATM   32  O   UNK     0      -6.096   1.083  -0.746  0.00  0.00           O+0
HETATM   33  C   UNK     0       2.736   1.501   0.805  0.00  0.00           C+0
HETATM   34  O   UNK     0       2.378   2.470   1.520  0.00  0.00           O+0
HETATM   35  C   UNK     0       4.082   0.934   1.075  0.00  0.00           C+0
HETATM   36  C   UNK     0       4.482  -0.075   0.346  0.00  0.00           C+0
HETATM   37  C   UNK     0       5.813  -0.750   0.498  0.00  0.00           C+0
HETATM   38  C   UNK     0       6.395  -0.355   1.825  0.00  0.00           C+0
HETATM   39  C   UNK     0       7.820  -0.856   1.874  0.00  0.00           C+0
HETATM   40  O   UNK     0       5.636  -0.859   2.869  0.00  0.00           O+0
HETATM   41  C   UNK     0       6.341   1.173   1.942  0.00  0.00           C+0
HETATM   42  O   UNK     0       7.148   1.573   3.002  0.00  0.00           O+0
HETATM   43  C   UNK     0       4.904   1.549   2.168  0.00  0.00           C+0
HETATM   44  C   UNK     0       3.634  -0.653  -0.723  0.00  0.00           C+0
HETATM   45  O   UNK     0       4.019  -1.624  -1.424  0.00  0.00           O+0
HETATM   46  H   UNK     0       0.291  -1.354  -5.058  0.00  0.00           H+0
HETATM   47  H   UNK     0       0.530  -2.525  -3.664  0.00  0.00           H+0
HETATM   48  H   UNK     0      -1.104  -2.271  -4.468  0.00  0.00           H+0
HETATM   49  H   UNK     0       1.940  -1.529  -2.595  0.00  0.00           H+0
HETATM   50  H   UNK     0       0.444   3.049   0.905  0.00  0.00           H+0
HETATM   51  H   UNK     0       0.247   3.946  -4.954  0.00  0.00           H+0
HETATM   52  H   UNK     0      -1.584   3.811  -4.934  0.00  0.00           H+0
HETATM   53  H   UNK     0      -0.668   4.994  -3.857  0.00  0.00           H+0
HETATM   54  H   UNK     0      -3.155   3.663  -3.626  0.00  0.00           H+0
HETATM   55  H   UNK     0      -5.613   3.483  -3.052  0.00  0.00           H+0
HETATM   56  H   UNK     0      -6.521  -0.144   1.494  0.00  0.00           H+0
HETATM   57  H   UNK     0      -6.497  -1.594   0.427  0.00  0.00           H+0
HETATM   58  H   UNK     0      -5.115  -1.141   3.085  0.00  0.00           H+0
HETATM   59  H   UNK     0      -7.251  -2.642   2.169  0.00  0.00           H+0
HETATM   60  H   UNK     0      -3.934  -4.653   2.858  0.00  0.00           H+0
HETATM   61  H   UNK     0      -4.893  -3.534   3.861  0.00  0.00           H+0
HETATM   62  H   UNK     0      -3.143  -3.235   3.711  0.00  0.00           H+0
HETATM   63  H   UNK     0      -4.654  -4.495   1.129  0.00  0.00           H+0
HETATM   64  H   UNK     0      -2.320  -2.569   1.115  0.00  0.00           H+0
HETATM   65  H   UNK     0      -3.072  -0.372   2.787  0.00  0.00           H+0
HETATM   66  H   UNK     0       6.457  -0.387  -0.330  0.00  0.00           H+0
HETATM   67  H   UNK     0       5.623  -1.837   0.447  0.00  0.00           H+0
HETATM   68  H   UNK     0       7.950  -1.796   1.303  0.00  0.00           H+0
HETATM   69  H   UNK     0       8.067  -1.068   2.929  0.00  0.00           H+0
HETATM   70  H   UNK     0       8.555  -0.141   1.479  0.00  0.00           H+0
HETATM   71  H   UNK     0       6.209  -1.462   3.406  0.00  0.00           H+0
HETATM   72  H   UNK     0       6.680   1.604   0.990  0.00  0.00           H+0
HETATM   73  H   UNK     0       8.087   1.740   2.698  0.00  0.00           H+0
HETATM   74  H   UNK     0       4.854   2.674   2.067  0.00  0.00           H+0
HETATM   75  H   UNK     0       4.536   1.275   3.171  0.00  0.00           H+0
CONECT    1    2   46   47   48                                             
CONECT    2    1    3                                                       
CONECT    3    2    4    9                                                  
CONECT    4    3    5   49                                                  
CONECT    5    4    6   44                                                  
CONECT    6    5    7   33                                                  
CONECT    7    6    8    9                                                  
CONECT    8    7   50                                                       
CONECT    9    7   10    3                                                  
CONECT   10    9   11   18                                                  
CONECT   11   10   12   14                                                  
CONECT   12   11   13                                                       
CONECT   13   12   51   52   53                                             
CONECT   14   11   15   54                                                  
CONECT   15   14   16   17                                                  
CONECT   16   15   55                                                       
CONECT   17   15   18   31                                                  
CONECT   18   17   19   10                                                  
CONECT   19   18   20   21                                                  
CONECT   20   19                                                            
CONECT   21   19   22   29                                                  
CONECT   22   21   23   31                                                  
CONECT   23   22   24   56   57                                             
CONECT   24   23   25   26   58                                             
CONECT   25   24   59                                                       
CONECT   26   24   27   28   29                                             
CONECT   27   26   60   61   62                                             
CONECT   28   26   63                                                       
CONECT   29   26   30   21   64                                             
CONECT   30   29   65                                                       
CONECT   31   22   32   17                                                  
CONECT   32   31                                                            
CONECT   33    6   34   35                                                  
CONECT   34   33                                                            
CONECT   35   33   36   43                                                  
CONECT   36   35   37   44                                                  
CONECT   37   36   38   66   67                                             
CONECT   38   37   39   40   41                                             
CONECT   39   38   68   69   70                                             
CONECT   40   38   71                                                       
CONECT   41   38   42   43   72                                             
CONECT   42   41   73                                                       
CONECT   43   41   35   74   75                                             
CONECT   44   36   45    5                                                  
CONECT   45   44                                                            
CONECT   46    1                                                            
CONECT   47    1                                                            
CONECT   48    1                                                            
CONECT   49    4                                                            
CONECT   50    8                                                            
CONECT   51   13                                                            
CONECT   52   13                                                            
CONECT   53   13                                                            
CONECT   54   14                                                            
CONECT   55   16                                                            
CONECT   56   23                                                            
CONECT   57   23                                                            
CONECT   58   24                                                            
CONECT   59   25                                                            
CONECT   60   27                                                            
CONECT   61   27                                                            
CONECT   62   27                                                            
CONECT   63   28                                                            
CONECT   64   29                                                            
CONECT   65   30                                                            
CONECT   66   37                                                            
CONECT   67   37                                                            
CONECT   68   39                                                            
CONECT   69   39                                                            
CONECT   70   39                                                            
CONECT   71   40                                                            
CONECT   72   41                                                            
CONECT   73   42                                                            
CONECT   74   43                                                            
CONECT   75   43                                                            
MASTER        0    0    0    0    0    0    0    0   75    0  160    0
END

RDKit          3D

75 80  0  0  0  0  0  0  0  0999 V2000
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   -0.5114   -0.7226   -3.3061 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2939   -0.1818   -2.2962 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5412   -0.6817   -2.0201 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3137   -0.1207   -1.0112 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8851    0.9524   -0.2385 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6290    1.4608   -0.5116 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1133    2.5123    0.1876 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1342    0.8726   -1.5411 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4560    1.4150   -1.8227 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6849    2.4203   -2.7173 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5800    2.9491   -3.3912 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -5.8827   -0.9684    1.1166 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4555   -1.7999    2.2693 C   0  0  1  0  0  0  0  0  0  0  0  0
   -6.4704   -2.5898    2.7747 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3021   -2.7221    1.9209 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.0253   -3.5697    3.1431 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6476   -3.5431    0.8555 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0859   -1.9234    1.5486 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.6561   -1.2683    2.7122 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9063    0.6856   -0.5743 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0965    1.0832   -0.7457 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7363    1.5010    0.8051 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3783    2.4698    1.5200 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0815    0.9343    1.0749 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4818   -0.0751    0.3460 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8128   -0.7497    0.4975 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3951   -0.3550    1.8249 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.8202   -0.8563    1.8744 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6363   -0.8592    2.8689 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3408    1.1728    1.9424 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.1484    1.5732    3.0025 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9035    1.5494    2.1682 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6343   -0.6530   -0.7233 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0194   -1.6237   -1.4238 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2911   -1.3543   -5.0582 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5295   -2.5252   -3.6642 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1039   -2.2714   -4.4684 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9398   -1.5292   -2.5945 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4439    3.0488    0.9047 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2470    3.9455   -4.9537 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5838    3.8109   -4.9336 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6679    4.9940   -3.8571 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1552    3.6629   -3.6262 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6131    3.4832   -3.0519 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5208   -0.1444    1.4936 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4973   -1.5938    0.4271 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1146   -1.1408    3.0853 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2514   -2.6415    2.1694 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9335   -4.6530    2.8578 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8928   -3.5341    3.8608 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1428   -3.2349    3.7107 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6537   -4.4951    1.1294 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3198   -2.5693    1.1155 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0725   -0.3718    2.7873 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4568   -0.3870   -0.3295 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6229   -1.8373    0.4467 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9496   -1.7961    1.3025 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0667   -1.0678    2.9292 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5545   -0.1407    1.4786 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2090   -1.4616    3.4059 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6804    1.6038    0.9903 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0871    1.7401    2.6976 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8545    2.6736    2.0674 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5364    1.2748    3.1713 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  1  0
  7  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  1  0
 11 14  1  0
 14 15  2  0
 15 16  1  0
 15 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 19 21  1  0
 21 22  2  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 24 26  1  0
 26 27  1  0
 26 28  1  6
 26 29  1  0
 29 30  1  0
 22 31  1  0
 31 32  2  0
  6 33  1  0
 33 34  2  0
 33 35  1  0
 35 36  2  0
 36 37  1  0
 37 38  1  0
 38 39  1  0
 38 40  1  1
 38 41  1  0
 41 42  1  0
 41 43  1  0
 36 44  1  0
 44 45  2  0
  9  3  1  0
 18 10  1  0
 29 21  1  0
 43 35  1  0
 44  5  1  0
 31 17  1  0
  1 46  1  0
  1 47  1  0
  1 48  1  0
  4 49  1  0
  8 50  1  0
 13 51  1  0
 13 52  1  0
 13 53  1  0
 14 54  1  0
 16 55  1  0
 23 56  1  0
 23 57  1  0
 24 58  1  1
 25 59  1  0
 27 60  1  0
 27 61  1  0
 27 62  1  0
 28 63  1  0
 29 64  1  6
 30 65  1  0
 37 66  1  0
 37 67  1  0
 39 68  1  0
 39 69  1  0
 39 70  1  0
 40 71  1  0
 41 72  1  6
 42 73  1  0
 43 74  1  0
 43 75  1  0
M  END

View in JSmol View NMR Assignments

Synonyms

Not Available

Chemical Formula

C₃₂H₃₀O₁₃

Average Mass

622.5790 Da

Monoisotopic Mass

622.16864 Da

IUPAC Name

(6R,6'S,7R,7'R,8R)-1',4,6,6',7,7',8-heptahydroxy-2,3'-dimethoxy-6',7-dimethyl-5H,5'H,6H,6'H,7H,7'H,8H,8'H,9H,9'H,10H,10'H-[1,2'-bianthracene]-9,9',10,10'-tetrone

Traditional Name

(6R,6'S,7R,7'R,8R)-1',4,6,6',7,7',8-heptahydroxy-2,3'-dimethoxy-6',7-dimethyl-5H,5'H,6H,7'H,8H,8'H-[1,2'-bianthracene]-9,9',10,10'-tetrone

CAS Registry Number

Not Available

SMILES

COC1=CC(O)=C2C(=O)C3=C([C@@H](O)[C@](C)(O)[C@H](O)C3)C(=O)C2=C1C1=C(OC)C=C2C(=O)C3=C(C[C@@H](O)[C@@](C)(O)C3)C(=O)C2=C1O

InChI Identifier

InChI=1S/C32H30O13/c1-31(42)9-13-10(6-17(31)34)26(37)19-11(25(13)36)5-15(44-3)23(28(19)39)22-16(45-4)8-14(33)21-24(22)29(40)20-12(27(21)38)7-18(35)32(2,43)30(20)41/h5,8,17-18,30,33-35,39,41-43H,6-7,9H2,1-4H3/t17-,18-,30-,31+,32-/m1/s1

InChI Key

IEFTVHHVCNGFFB-CYFFLJPJSA-N

Experimental Spectra

Not Available

Predicted Spectra

Spectrum Type	Description	Depositor ID	Depositor Organization	Depositor	Deposition Date	View
1D NMR	¹³C NMR Spectrum (1D, 25 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 252 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 50 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 75 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 101 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 126 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 151 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 176 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 201 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 226 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum

Chemical Shift Submissions

Not Available

Species

Species of Origin

Species Name	Source	Reference
Stemphylium sp. 33231	NPAtlas	25136754

Chemical Taxonomy

Classification

Not classified

Physical Properties

State

Not Available

Experimental Properties

Property	Value	Reference
Melting Point	Not Available	Not Available
Boiling Point	Not Available	Not Available
Water Solubility	Not Available	Not Available
LogP	Not Available	Not Available

Predicted Properties

Property	Value	Source
logP	2.11	ALOGPS
logP	0.19	ChemAxon
logS	-3	ALOGPS
pKa (Strongest Acidic)	7.18	ChemAxon
pKa (Strongest Basic)	-3.3	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	13	ChemAxon
Hydrogen Donor Count	7	ChemAxon
Polar Surface Area	228.35 Å²	ChemAxon
Rotatable Bond Count	2	ChemAxon
Refractivity	157.11 m³·mol⁻¹	ChemAxon
Polarizability	61.78 Å³	ChemAxon
Number of Rings	6	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

External Links

NPAtlas ID

NPA016925

HMDB ID

Not Available

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

Not Available

KNApSAcK ID

Not Available

Chemspider ID

34981547

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

118714206

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Zhou XM, Zheng CJ, Chen GY, Song XP, Han CR, Li GN, Fu YH, Chen WH, Niu ZG: Bioactive anthraquinone derivatives from the mangrove-derived fungus Stemphylium sp. 33231. J Nat Prod. 2014 Sep 26;77(9):2021-8. doi: 10.1021/np500340y. Epub 2014 Aug 19. [PubMed:25136754 ]

Showing NP-Card for Alterporriol T (NP0013213)

MOL for NP0013213 (Alterporriol T)

3D MOL for NP0013213 (Alterporriol T)

3D SDF for NP0013213 (Alterporriol T)

3D-SDF for NP0013213 (Alterporriol T)

PDB for NP0013213 (Alterporriol T)

3D PDB for NP0013213 (Alterporriol T)

SMILES for NP0013213 (Alterporriol T)

INCHI for NP0013213 (Alterporriol T)

Structure for NP0013213 (Alterporriol T)

3D Structure for NP0013213 (Alterporriol T)