NP-MRD: Showing NP-Card for Verrucarin A (NP0021364)

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Record Information

Version

2.0

Created at

2021-01-06 06:37:17 UTC

Updated at

2024-09-03 04:15:10 UTC

NP-MRD ID

NP0021364

Natural Product DOI

https://doi.org/10.57994/0173

Secondary Accession Numbers

None

Natural Product Identification

Common Name

Verrucarin A

Provided By

NPAtlas

Description

Verrucarin A is found in Albifimbria verrucaria, Baccharis artemisioides, Baccharis coridifolia, Myrothecium roridum, Myrothecium verrucaria and Unknown-fungus sp. fL-24. Verrucarin A was first documented in 1968 (PMID: 4299889). Based on a literature review very few articles have been published on 3148-09-2.

Structure

MOL 3D MOL SDF 3D SDF PDB SMILES InChI


  Mrv1652306242120423D          

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  Mrv1652306242120423D          

 70 74  0  0  0  0            999 V2000
   -5.6888   -2.5306   -0.3807 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2437   -2.2163   -0.3157 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5874   -1.5537   -1.2548 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1459   -1.3075   -1.0668 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.7647   -0.4385   -2.0861 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0937    0.8765   -1.8808 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.7322    1.5781   -1.6642 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.3678    1.2013   -0.2676 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.2822    2.1944    0.4809 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2697    3.5534    0.4377 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5631    4.1212    1.3020 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0155    4.4776   -0.3990 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2832    4.8424   -0.3086 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2760    4.4285    0.6364 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1502    3.4389    0.5535 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3204    2.5067   -0.5504 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3910    2.6325   -1.3096 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5005    1.4807   -0.9274 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1512    0.3031   -0.2921 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.2518   -0.6624    0.0243 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.8064   -2.1033   -0.1640 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.7489   -3.0804    0.4630 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249   -2.3382    0.4316 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.3889   -3.5884    1.0924 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4708   -2.4541   -0.6996 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8380   -2.9943   -1.7658 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2022   -1.9638   -0.5500 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4004   -1.5286    0.6294 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.7149   -0.8605    0.2839 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.7020   -1.3378    1.3278 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.3971   -2.6285    0.8556 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.6298    0.6505    0.3955 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.7188    1.1516    1.7976 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7080    1.1675   -0.5257 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.0471    1.3853   -0.2929 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.1710    2.4645   -0.3810 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2018   -1.8820   -1.0874 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8421   -3.6033   -0.6665 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0868   -2.4484    0.6630 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1598   -1.2237   -2.1258 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6208   -2.2795   -1.3120 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6626    1.3632   -2.6736 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0185    1.2209   -2.4351 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9167    2.6305   -1.8350 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3286    0.3424   -0.3490 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3878    4.9369   -1.2138 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5706    5.6288   -1.0702 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4169    5.0189    1.5970 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8791    3.2593    1.3878 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5138    0.5320    0.5777 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4883   -0.2431   -1.0374 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0933   -0.4659   -0.6714 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6034   -0.4818    1.0666 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8046   -2.2872   -1.2614 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2378   -4.0801    0.4394 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6864   -3.2236   -0.1143 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9542   -2.8719    1.5321 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1526   -1.5475    1.1514 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4377   -3.8618    1.0784 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5834   -2.4460    1.2391 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2352   -0.8849    1.2708 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4600   -0.5766    1.5969 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1946   -1.6298    2.2712 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6111   -3.3315    0.5890 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0708   -2.9281    1.6560 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9513    0.3728    2.5609 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4756    1.9457    1.9116 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6920    1.5068    2.1116 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5563    1.3323    0.6713 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7813    1.3386   -1.1478 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  1  0  0  0  0
 25 26  2  0  0  0  0
 25 27  1  0  0  0  0
 27 28  1  0  0  0  0
 29 28  1  1  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 29 32  1  0  0  0  0
 32 33  1  1  0  0  0
 32 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 31  2  1  0  0  0  0
 34 36  1  1  0  0  0
 29  4  1  0  0  0  0
 34  6  1  0  0  0  0
 32  8  1  0  0  0  0
  1 37  1  0  0  0  0
  1 38  1  0  0  0  0
  1 39  1  0  0  0  0
  3 40  1  0  0  0  0
  4 41  1  6  0  0  0
  6 42  1  6  0  0  0
  7 43  1  0  0  0  0
  7 44  1  0  0  0  0
  8 45  1  6  0  0  0
 12 46  1  0  0  0  0
 13 47  1  0  0  0  0
 14 48  1  0  0  0  0
 15 49  1  0  0  0  0
 19 50  1  0  0  0  0
 19 51  1  0  0  0  0
 20 52  1  0  0  0  0
 20 53  1  0  0  0  0
 21 54  1  6  0  0  0
 22 55  1  0  0  0  0
 22 56  1  0  0  0  0
 22 57  1  0  0  0  0
 23 58  1  1  0  0  0
 24 59  1  0  0  0  0
 28 60  1  0  0  0  0
 28 61  1  0  0  0  0
 30 62  1  0  0  0  0
 30 63  1  0  0  0  0
 31 64  1  0  0  0  0
 31 65  1  0  0  0  0
 33 66  1  0  0  0  0
 33 67  1  0  0  0  0
 33 68  1  0  0  0  0
 35 69  1  0  0  0  0
 35 70  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0021364

> <DATABASE_NAME>
NP-MRD

> <SMILES>
[H]O[C@]1([H])C(=O)OC([H])([H])[C@]23C([H])([H])C([H])([H])C(=C([H])[C@@]2([H])O[C@]2([H])C([H])([H])[C@@]([H])(OC(=O)\C([H])=C(\[H])/C(/[H])=C([H])\C(=O)OC([H])([H])C([H])([H])[C@@]1([H])C([H])([H])[H])[C@@]3(C([H])([H])[H])[C@@]21OC1([H])[H])C([H])([H])[H]

> <INCHI_IDENTIFIER>
InChI=1S/C27H34O9/c1-16-8-10-26-14-33-24(31)23(30)17(2)9-11-32-21(28)6-4-5-7-22(29)36-18-13-20(35-19(26)12-16)27(15-34-27)25(18,26)3/h4-7,12,17-20,23,30H,8-11,13-15H2,1-3H3/b6-4-,7-5-/t17-,18-,19-,20-,23+,25-,26-,27+/m1/s1

> <INCHI_KEY>
NLUGUZJQJYVUHS-CFEGEJFQSA-N

> <FORMULA>
C27H34O9

> <MOLECULAR_WEIGHT>
502.56

> <EXACT_MASS>
502.220282675

> <JCHEM_ACCEPTOR_COUNT>
6

> <JCHEM_ATOM_COUNT>
70

> <JCHEM_AVERAGE_POLARIZABILITY>
51.33024461869343

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(1'R,2S,3'R,8'R,12'S,13'R,18'Z,20'Z,24'R,25'S)-12'-hydroxy-5',13',25'-trimethyl-2',10',16',23'-tetraoxaspiro[oxirane-2,26'-tetracyclo[22.2.1.0^{3,8}.0^{8,25}]heptacosane]-4',18',20'-triene-11',17',22'-trione

> <ALOGPS_LOGP>
2.20

> <JCHEM_LOGP>
2.5549805999999995

> <ALOGPS_LOGS>
-4.07

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
5

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
12.477667856598956

> <JCHEM_PKA_STRONGEST_BASIC>
-3.902068079523617

> <JCHEM_POLAR_SURFACE_AREA>
120.89

> <JCHEM_REFRACTIVITY>
128.51369999999997

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
4.28e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(1'R,2S,3'R,8'R,12'S,13'R,18'Z,20'Z,24'R,25'S)-12'-hydroxy-5',13',25'-trimethyl-2',10',16',23'-tetraoxaspiro[oxirane-2,26'-tetracyclo[22.2.1.0^{3,8}.0^{8,25}]heptacosane]-4',18',20'-triene-11',17',22'-trione

> <JCHEM_VEBER_RULE>
0

$$$$

     RDKit          3D

 70 74  0  0  0  0  0  0  0  0999 V2000
   -5.6888   -2.5306   -0.3807 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2437   -2.2163   -0.3157 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5874   -1.5537   -1.2548 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1459   -1.3075   -1.0668 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.7647   -0.4385   -2.0861 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0937    0.8765   -1.8808 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.7322    1.5781   -1.6642 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3678    1.2013   -0.2676 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.2822    2.1944    0.4809 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2697    3.5534    0.4377 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5631    4.1212    1.3020 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0155    4.4776   -0.3990 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2832    4.8424   -0.3086 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2760    4.4285    0.6364 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1502    3.4389    0.5535 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3204    2.5067   -0.5504 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3910    2.6325   -1.3096 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5005    1.4807   -0.9274 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1512    0.3031   -0.2921 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2518   -0.6624    0.0243 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8064   -2.1033   -0.1640 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.7489   -3.0804    0.4630 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249   -2.3382    0.4316 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.3889   -3.5884    1.0924 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4708   -2.4541   -0.6996 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8380   -2.9943   -1.7658 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2022   -1.9638   -0.5500 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4004   -1.5286    0.6294 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7149   -0.8605    0.2839 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.7020   -1.3378    1.3278 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3971   -2.6285    0.8556 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6298    0.6505    0.3955 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.7188    1.1516    1.7976 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7080    1.1675   -0.5257 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.0471    1.3853   -0.2929 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1710    2.4645   -0.3810 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2018   -1.8820   -1.0874 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8421   -3.6033   -0.6665 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0868   -2.4484    0.6630 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1598   -1.2237   -2.1258 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6208   -2.2795   -1.3120 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6626    1.3632   -2.6736 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0185    1.2209   -2.4351 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9167    2.6305   -1.8350 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3286    0.3424   -0.3490 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3878    4.9369   -1.2138 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5706    5.6288   -1.0702 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4169    5.0189    1.5970 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8791    3.2593    1.3878 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5138    0.5320    0.5777 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4883   -0.2431   -1.0374 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0933   -0.4659   -0.6714 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6034   -0.4818    1.0666 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8046   -2.2872   -1.2614 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2378   -4.0801    0.4394 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6864   -3.2236   -0.1143 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9542   -2.8719    1.5321 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1526   -1.5475    1.1514 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4377   -3.8618    1.0784 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5834   -2.4460    1.2391 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2352   -0.8849    1.2708 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4600   -0.5766    1.5969 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1946   -1.6298    2.2712 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6111   -3.3315    0.5890 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0708   -2.9281    1.6560 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9513    0.3728    2.5609 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4756    1.9457    1.9116 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6920    1.5068    2.1116 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5563    1.3323    0.6713 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7813    1.3386   -1.1478 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 10 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 16 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 21 23  1  0
 23 24  1  0
 23 25  1  0
 25 26  2  0
 25 27  1  0
 27 28  1  0
 29 28  1  1
 29 30  1  0
 30 31  1  0
 29 32  1  0
 32 33  1  1
 32 34  1  0
 34 35  1  0
 35 36  1  0
 31  2  1  0
 34 36  1  1
 29  4  1  0
 34  6  1  0
 32  8  1  0
  1 37  1  0
  1 38  1  0
  1 39  1  0
  3 40  1  0
  4 41  1  6
  6 42  1  6
  7 43  1  0
  7 44  1  0
  8 45  1  6
 12 46  1  0
 13 47  1  0
 14 48  1  0
 15 49  1  0
 19 50  1  0
 19 51  1  0
 20 52  1  0
 20 53  1  0
 21 54  1  6
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 22 56  1  0
 22 57  1  0
 23 58  1  1
 24 59  1  0
 28 60  1  0
 28 61  1  0
 30 62  1  0
 30 63  1  0
 31 64  1  0
 31 65  1  0
 33 66  1  0
 33 67  1  0
 33 68  1  0
 35 69  1  0
 35 70  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      -5.689  -2.531  -0.381  0.00  0.00           C+0
HETATM    2  C   UNK     0      -4.244  -2.216  -0.316  0.00  0.00           C+0
HETATM    3  C   UNK     0      -3.587  -1.554  -1.255  0.00  0.00           C+0
HETATM    4  C   UNK     0      -2.146  -1.308  -1.067  0.00  0.00           C+0
HETATM    5  O   UNK     0      -1.765  -0.439  -2.086  0.00  0.00           O+0
HETATM    6  C   UNK     0      -2.094   0.877  -1.881  0.00  0.00           C+0
HETATM    7  C   UNK     0      -0.732   1.578  -1.664  0.00  0.00           C+0
HETATM    8  C   UNK     0      -0.368   1.201  -0.268  0.00  0.00           C+0
HETATM    9  O   UNK     0       0.282   2.194   0.481  0.00  0.00           O+0
HETATM   10  C   UNK     0       0.270   3.553   0.438  0.00  0.00           C+0
HETATM   11  O   UNK     0      -0.563   4.121   1.302  0.00  0.00           O+0
HETATM   12  C   UNK     0       1.016   4.478  -0.399  0.00  0.00           C+0
HETATM   13  C   UNK     0       2.283   4.842  -0.309  0.00  0.00           C+0
HETATM   14  C   UNK     0       3.276   4.428   0.636  0.00  0.00           C+0
HETATM   15  C   UNK     0       4.150   3.439   0.554  0.00  0.00           C+0
HETATM   16  C   UNK     0       4.320   2.507  -0.550  0.00  0.00           C+0
HETATM   17  O   UNK     0       5.391   2.632  -1.310  0.00  0.00           O+0
HETATM   18  O   UNK     0       3.501   1.481  -0.927  0.00  0.00           O+0
HETATM   19  C   UNK     0       3.151   0.303  -0.292  0.00  0.00           C+0
HETATM   20  C   UNK     0       4.252  -0.662   0.024  0.00  0.00           C+0
HETATM   21  C   UNK     0       3.806  -2.103  -0.164  0.00  0.00           C+0
HETATM   22  C   UNK     0       4.749  -3.080   0.463  0.00  0.00           C+0
HETATM   23  C   UNK     0       2.425  -2.338   0.432  0.00  0.00           C+0
HETATM   24  O   UNK     0       2.389  -3.588   1.092  0.00  0.00           O+0
HETATM   25  C   UNK     0       1.471  -2.454  -0.700  0.00  0.00           C+0
HETATM   26  O   UNK     0       1.838  -2.994  -1.766  0.00  0.00           O+0
HETATM   27  O   UNK     0       0.202  -1.964  -0.550  0.00  0.00           O+0
HETATM   28  C   UNK     0      -0.400  -1.529   0.629  0.00  0.00           C+0
HETATM   29  C   UNK     0      -1.715  -0.861   0.284  0.00  0.00           C+0
HETATM   30  C   UNK     0      -2.702  -1.338   1.328  0.00  0.00           C+0
HETATM   31  C   UNK     0      -3.397  -2.628   0.856  0.00  0.00           C+0
HETATM   32  C   UNK     0      -1.630   0.651   0.396  0.00  0.00           C+0
HETATM   33  C   UNK     0      -1.719   1.152   1.798  0.00  0.00           C+0
HETATM   34  C   UNK     0      -2.708   1.167  -0.526  0.00  0.00           C+0
HETATM   35  C   UNK     0      -4.047   1.385  -0.293  0.00  0.00           C+0
HETATM   36  O   UNK     0      -3.171   2.465  -0.381  0.00  0.00           O+0
HETATM   37  H   UNK     0      -6.202  -1.882  -1.087  0.00  0.00           H+0
HETATM   38  H   UNK     0      -5.842  -3.603  -0.667  0.00  0.00           H+0
HETATM   39  H   UNK     0      -6.087  -2.448   0.663  0.00  0.00           H+0
HETATM   40  H   UNK     0      -4.160  -1.224  -2.126  0.00  0.00           H+0
HETATM   41  H   UNK     0      -1.621  -2.280  -1.312  0.00  0.00           H+0
HETATM   42  H   UNK     0      -2.663   1.363  -2.674  0.00  0.00           H+0
HETATM   43  H   UNK     0      -0.019   1.221  -2.435  0.00  0.00           H+0
HETATM   44  H   UNK     0      -0.917   2.631  -1.835  0.00  0.00           H+0
HETATM   45  H   UNK     0       0.329   0.342  -0.349  0.00  0.00           H+0
HETATM   46  H   UNK     0       0.388   4.937  -1.214  0.00  0.00           H+0
HETATM   47  H   UNK     0       2.571   5.629  -1.070  0.00  0.00           H+0
HETATM   48  H   UNK     0       3.417   5.019   1.597  0.00  0.00           H+0
HETATM   49  H   UNK     0       4.879   3.259   1.388  0.00  0.00           H+0
HETATM   50  H   UNK     0       2.514   0.532   0.578  0.00  0.00           H+0
HETATM   51  H   UNK     0       2.488  -0.243  -1.037  0.00  0.00           H+0
HETATM   52  H   UNK     0       5.093  -0.466  -0.671  0.00  0.00           H+0
HETATM   53  H   UNK     0       4.603  -0.482   1.067  0.00  0.00           H+0
HETATM   54  H   UNK     0       3.805  -2.287  -1.261  0.00  0.00           H+0
HETATM   55  H   UNK     0       4.238  -4.080   0.439  0.00  0.00           H+0
HETATM   56  H   UNK     0       5.686  -3.224  -0.114  0.00  0.00           H+0
HETATM   57  H   UNK     0       4.954  -2.872   1.532  0.00  0.00           H+0
HETATM   58  H   UNK     0       2.153  -1.548   1.151  0.00  0.00           H+0
HETATM   59  H   UNK     0       1.438  -3.862   1.078  0.00  0.00           H+0
HETATM   60  H   UNK     0      -0.583  -2.446   1.239  0.00  0.00           H+0
HETATM   61  H   UNK     0       0.235  -0.885   1.271  0.00  0.00           H+0
HETATM   62  H   UNK     0      -3.460  -0.577   1.597  0.00  0.00           H+0
HETATM   63  H   UNK     0      -2.195  -1.630   2.271  0.00  0.00           H+0
HETATM   64  H   UNK     0      -2.611  -3.332   0.589  0.00  0.00           H+0
HETATM   65  H   UNK     0      -4.071  -2.928   1.656  0.00  0.00           H+0
HETATM   66  H   UNK     0      -1.951   0.373   2.561  0.00  0.00           H+0
HETATM   67  H   UNK     0      -2.476   1.946   1.912  0.00  0.00           H+0
HETATM   68  H   UNK     0      -0.692   1.507   2.112  0.00  0.00           H+0
HETATM   69  H   UNK     0      -4.556   1.332   0.671  0.00  0.00           H+0
HETATM   70  H   UNK     0      -4.781   1.339  -1.148  0.00  0.00           H+0
CONECT    1    2   37   38   39                                             
CONECT    2    1    3   31                                                  
CONECT    3    2    4   40                                                  
CONECT    4    3    5   29   41                                             
CONECT    5    4    6                                                       
CONECT    6    5    7   34   42                                             
CONECT    7    6    8   43   44                                             
CONECT    8    7    9   32   45                                             
CONECT    9    8   10                                                       
CONECT   10    9   11   12                                                  
CONECT   11   10                                                            
CONECT   12   10   13   46                                                  
CONECT   13   12   14   47                                                  
CONECT   14   13   15   48                                                  
CONECT   15   14   16   49                                                  
CONECT   16   15   17   18                                                  
CONECT   17   16                                                            
CONECT   18   16   19                                                       
CONECT   19   18   20   50   51                                             
CONECT   20   19   21   52   53                                             
CONECT   21   20   22   23   54                                             
CONECT   22   21   55   56   57                                             
CONECT   23   21   24   25   58                                             
CONECT   24   23   59                                                       
CONECT   25   23   26   27                                                  
CONECT   26   25                                                            
CONECT   27   25   28                                                       
CONECT   28   27   29   60   61                                             
CONECT   29   28   30   32    4                                             
CONECT   30   29   31   62   63                                             
CONECT   31   30    2   64   65                                             
CONECT   32   29   33   34    8                                             
CONECT   33   32   66   67   68                                             
CONECT   34   32   35   36    6                                             
CONECT   35   34   36   69   70                                             
CONECT   36   35   34                                                       
CONECT   37    1                                                            
CONECT   38    1                                                            
CONECT   39    1                                                            
CONECT   40    3                                                            
CONECT   41    4                                                            
CONECT   42    6                                                            
CONECT   43    7                                                            
CONECT   44    7                                                            
CONECT   45    8                                                            
CONECT   46   12                                                            
CONECT   47   13                                                            
CONECT   48   14                                                            
CONECT   49   15                                                            
CONECT   50   19                                                            
CONECT   51   19                                                            
CONECT   52   20                                                            
CONECT   53   20                                                            
CONECT   54   21                                                            
CONECT   55   22                                                            
CONECT   56   22                                                            
CONECT   57   22                                                            
CONECT   58   23                                                            
CONECT   59   24                                                            
CONECT   60   28                                                            
CONECT   61   28                                                            
CONECT   62   30                                                            
CONECT   63   30                                                            
CONECT   64   31                                                            
CONECT   65   31                                                            
CONECT   66   33                                                            
CONECT   67   33                                                            
CONECT   68   33                                                            
CONECT   69   35                                                            
CONECT   70   35                                                            
MASTER        0    0    0    0    0    0    0    0   70    0  148    0
END

RDKit          3D

70 74  0  0  0  0  0  0  0  0999 V2000
   -5.6888   -2.5306   -0.3807 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2437   -2.2163   -0.3157 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5874   -1.5537   -1.2548 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1459   -1.3075   -1.0668 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.7647   -0.4385   -2.0861 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0937    0.8765   -1.8808 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.7322    1.5781   -1.6642 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3678    1.2013   -0.2676 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.2822    2.1944    0.4809 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2697    3.5534    0.4377 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5631    4.1212    1.3020 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0155    4.4776   -0.3990 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2832    4.8424   -0.3086 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2760    4.4285    0.6364 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1502    3.4389    0.5535 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3204    2.5067   -0.5504 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3910    2.6325   -1.3096 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5005    1.4807   -0.9274 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1512    0.3031   -0.2921 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2518   -0.6624    0.0243 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8064   -2.1033   -0.1640 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.7489   -3.0804    0.4630 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249   -2.3382    0.4316 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.3889   -3.5884    1.0924 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4708   -2.4541   -0.6996 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8380   -2.9943   -1.7658 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2022   -1.9638   -0.5500 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4004   -1.5286    0.6294 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7149   -0.8605    0.2839 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.7020   -1.3378    1.3278 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3971   -2.6285    0.8556 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6298    0.6505    0.3955 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.7188    1.1516    1.7976 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7080    1.1675   -0.5257 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.0471    1.3853   -0.2929 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1710    2.4645   -0.3810 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2018   -1.8820   -1.0874 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8421   -3.6033   -0.6665 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0868   -2.4484    0.6630 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1598   -1.2237   -2.1258 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6208   -2.2795   -1.3120 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6626    1.3632   -2.6736 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0185    1.2209   -2.4351 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9167    2.6305   -1.8350 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3286    0.3424   -0.3490 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3878    4.9369   -1.2138 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5706    5.6288   -1.0702 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4169    5.0189    1.5970 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8791    3.2593    1.3878 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5138    0.5320    0.5777 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4883   -0.2431   -1.0374 H   0  0  0  0  0  0  0  0  0  0  0  0
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    5.6864   -3.2236   -0.1143 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9542   -2.8719    1.5321 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1526   -1.5475    1.1514 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4377   -3.8618    1.0784 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5834   -2.4460    1.2391 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2352   -0.8849    1.2708 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4600   -0.5766    1.5969 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1946   -1.6298    2.2712 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6111   -3.3315    0.5890 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0708   -2.9281    1.6560 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9513    0.3728    2.5609 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4756    1.9457    1.9116 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6920    1.5068    2.1116 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5563    1.3323    0.6713 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7813    1.3386   -1.1478 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 10 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
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 16 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 21 23  1  0
 23 24  1  0
 23 25  1  0
 25 26  2  0
 25 27  1  0
 27 28  1  0
 29 28  1  1
 29 30  1  0
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 32 33  1  1
 32 34  1  0
 34 35  1  0
 35 36  1  0
 31  2  1  0
 34 36  1  1
 29  4  1  0
 34  6  1  0
 32  8  1  0
  1 37  1  0
  1 38  1  0
  1 39  1  0
  3 40  1  0
  4 41  1  6
  6 42  1  6
  7 43  1  0
  7 44  1  0
  8 45  1  6
 12 46  1  0
 13 47  1  0
 14 48  1  0
 15 49  1  0
 19 50  1  0
 19 51  1  0
 20 52  1  0
 20 53  1  0
 21 54  1  6
 22 55  1  0
 22 56  1  0
 22 57  1  0
 23 58  1  1
 24 59  1  0
 28 60  1  0
 28 61  1  0
 30 62  1  0
 30 63  1  0
 31 64  1  0
 31 65  1  0
 33 66  1  0
 33 67  1  0
 33 68  1  0
 35 69  1  0
 35 70  1  0
M  END

View in JSmol View NMR Assignments

Synonyms

Not Available

Chemical Formula

C₂₇H₃₄O₉

Average Mass

502.5600 Da

Monoisotopic Mass

502.22028 Da

IUPAC Name

(1'R,2S,3'R,8'R,12'S,13'R,18'Z,20'Z,24'R,25'S)-12'-hydroxy-5',13',25'-trimethyl-2',10',16',23'-tetraoxaspiro[oxirane-2,26'-tetracyclo[22.2.1.0^{3,8}.0^{8,25}]heptacosane]-4',18',20'-triene-11',17',22'-trione

Traditional Name

CAS Registry Number

Not Available

SMILES

C[C@@H]1CCOC(=O)\C=C/C=C\C(=O)O[C@@H]2C[C@H]3O[C@@H]4C=C(C)CC[C@]4(COC(=O)[C@H]1O)[C@]2(C)[C@]31CO1

InChI Identifier

InChI=1S/C27H34O9/c1-16-8-10-26-14-33-24(31)23(30)17(2)9-11-32-21(28)6-4-5-7-22(29)36-18-13-20(35-19(26)12-16)27(15-34-27)25(18,26)3/h4-7,12,17-20,23,30H,8-11,13-15H2,1-3H3/b6-4-,7-5-/t17-,18-,19-,20-,23+,25-,26-,27+/m1/s1

InChI Key

NLUGUZJQJYVUHS-CFEGEJFQSA-N

Experimental Spectra

Spectrum Type	Description	Depositor Email	Depositor Organization	Depositor	Deposition Date	View
1D NMR	¹H NMR Spectrum (1D, 400 MHz, CDCl3, experimental)	nvminh@krict.re.kr	Not Available	Not Available	2022-12-22	View Spectrum

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
Albifimbria verrucaria	LOTUS Database	35616633
Baccharis artemisioides	LOTUS Database	35616633
Baccharis coridifolia	LOTUS Database	35616633
Myrothecium roridum	Fungi	KNApSAcK
Myrothecium verrucaria	Fungi	KNApSAcK
Unknown-fungus sp. fL-24	NPAtlas	4299889

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	2.2	ALOGPS
logP	2.55	ChemAxon
logS	-4.1	ALOGPS
pKa (Strongest Acidic)	12.48	ChemAxon
pKa (Strongest Basic)	-3.9	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	6	ChemAxon
Hydrogen Donor Count	1	ChemAxon
Polar Surface Area	120.89 Å²	ChemAxon
Rotatable Bond Count	0	ChemAxon
Refractivity	128.51 m³·mol⁻¹	ChemAxon
Polarizability	51.33 Å³	ChemAxon
Number of Rings	5	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

External Links

NPAtlas ID

NPA021236

HMDB ID

Not Available

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

Not Available

KNApSAcK ID

C00003200

Chemspider ID

4885477

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

23304727

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Tamura G, Ando K, Suzuki S, Takatsuki A, Arima K: Antiviral activity of brefeldin A and verrucarin A. J Antibiot (Tokyo). 1968 Feb;21(2):160-1. doi: 10.7164/antibiotics.21.160. [PubMed:4299889 ]

Showing NP-Card for Verrucarin A (NP0021364)

MOL for NP0021364 (Verrucarin A)

3D MOL for NP0021364 (Verrucarin A)

3D SDF for NP0021364 (Verrucarin A)

3D-SDF for NP0021364 (Verrucarin A)

PDB for NP0021364 (Verrucarin A)

3D PDB for NP0021364 (Verrucarin A)

SMILES for NP0021364 (Verrucarin A)

INCHI for NP0021364 (Verrucarin A)

Structure for NP0021364 (Verrucarin A)

3D Structure for NP0021364 (Verrucarin A)