NP-MRD: Showing NP-Card for (+)-Algoane (NP0082770)

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Record Information

Version

2.0

Created at

2022-04-29 03:51:32 UTC

Updated at

2022-04-29 03:51:32 UTC

NP-MRD ID

NP0082770

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(+)-Algoane

Description

Algoane belongs to the class of organic compounds known as sesquiterpenoids. These are terpenes with three consecutive isoprene units. (+)-Algoane is found in Aplysia dactylomela. Based on a literature review very few articles have been published on Algoane.

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 51 52  0  0  0  0  0  0  0  0999 V2000
    2.8476    3.2486    0.1599 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2428    2.2456   -0.7376 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1725    2.4537   -1.9658 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7585    1.0838   -0.2142 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1546    0.0352   -0.9317 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.3026   -1.0320   -0.9862 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7354   -1.3933    0.3801 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.1229   -0.7954    0.6094 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9632   -3.1688    0.4103 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.8728   -0.9970    1.5056 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.5755    0.5424    2.5074 Br  0  0  0  0  0  0  0  0  0  0  0  0
    0.4043   -0.8347    1.2283 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0141   -0.6103   -0.1939 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0942   -1.9447   -0.7699 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3265   -0.1626   -0.5225 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.5695   -0.5749   -2.0003 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5923    1.3398   -0.6283 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.8388    2.0837   -1.4192 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9282    1.8009    0.7479 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9348    0.6977    1.0922 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.1000    0.3790    2.9457 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -2.4965   -0.5254    0.2658 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.4970   -1.6715    1.2085 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6829   -0.8327   -0.6767 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7539    4.2550   -0.3046 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3038    3.3246    1.1431 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9030    3.0153    0.4296 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0233    0.2014   -1.9982 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9422   -1.8850   -1.5946 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1019   -0.5320   -1.5681 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3062    0.0727   -0.0610 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9263   -1.5314    0.3695 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2814   -0.4859    1.6465 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0520   -1.7981    2.3007 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0574   -0.0586    1.9407 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0065   -1.8516    1.5276 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0582   -2.6232   -0.0853 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5534   -0.1851   -2.3559 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4368   -1.6476   -2.1365 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8289   -0.0496   -2.6364 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6208    1.3729   -1.1424 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0688    2.0609   -2.3737 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1289    1.9250    1.4537 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4395    2.7837    0.6465 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9227    1.0997    0.7209 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5964   -1.8913    1.4373 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1769   -1.4252    2.2621 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1458   -2.6297    0.8323 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4429   -1.6801   -1.3353 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1302    0.0403   -1.1260 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5053   -1.2443   -0.0074 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  7  9  1  6
  7 10  1  0
 10 11  1  0
 10 12  1  0
 12 13  1  0
 13 14  1  6
 13 15  1  0
 15 16  1  6
 15 17  1  0
 17 18  1  0
 17 19  1  0
 19 20  1  0
 20 21  1  0
 20 22  1  0
 22 23  1  1
 22 24  1  0
 13  5  1  0
 22 15  1  0
  1 25  1  0
  1 26  1  0
  1 27  1  0
  5 28  1  6
  6 29  1  0
  6 30  1  0
  8 31  1  0
  8 32  1  0
  8 33  1  0
 10 34  1  1
 12 35  1  0
 12 36  1  0
 14 37  1  0
 16 38  1  0
 16 39  1  0
 16 40  1  0
 17 41  1  6
 18 42  1  0
 19 43  1  0
 19 44  1  0
 20 45  1  6
 23 46  1  0
 23 47  1  0
 23 48  1  0
 24 49  1  0
 24 50  1  0
 24 51  1  0
M  END


  Mrv1652304292205512D          

 24 25  0  0  1  0            999 V2000
    3.2148    4.6253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8468    4.0950    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.7035    3.2825    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.9283    3.0003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2963    3.5306    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4396    4.3431    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.8076    4.8734    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9508    5.6859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3188    6.2162    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7261    5.9680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7443    2.9176    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.0768    2.4326    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.3318    1.6480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1568    1.6480    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4117    2.4326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2204    2.2696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2204    2.5957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6417    0.9806    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    0.2922    2.6876    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1922    3.5306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4793    3.6455    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3355    2.7522    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.6638    3.9802    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3988    4.7081    0.0000 Cl  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  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  1  6  1  0  0  0  0
  6  7  1  1  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
  5 11  1  1  0  0  0
 11 12  1  1  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 11 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 14 18  1  1  0  0  0
 12 19  1  1  0  0  0
 11 20  1  6  0  0  0
  5 21  1  6  0  0  0
  3 22  1  1  0  0  0
  2 23  1  1  0  0  0
  2 24  1  6  0  0  0
M  END
> <DATABASE_ID>
NP0082770

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC(=O)O[C@H]1C[C@](C)(Cl)[C@@H](Br)C[C@@]1(O)[C@]1(C)[C@H](O)C[C@H](Br)C1(C)C

> <INCHI_IDENTIFIER>
InChI=1S/C17H27Br2ClO4/c1-9(21)24-13-8-15(4,20)11(19)7-17(13,23)16(5)12(22)6-10(18)14(16,2)3/h10-13,22-23H,6-8H2,1-5H3/t10-,11-,12+,13-,15-,16+,17-/m0/s1

> <INCHI_KEY>
YZHYAKQANFUWDQ-IIVKZSCBSA-N

> <FORMULA>
C17H27Br2ClO4

> <MOLECULAR_WEIGHT>
490.66

> <EXACT_MASS>
487.996463

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_ATOM_COUNT>
51

> <JCHEM_AVERAGE_POLARIZABILITY>
42.04212717960147

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(1S,2R,4S,5S)-4-bromo-2-[(1S,3S,5R)-3-bromo-5-hydroxy-1,2,2-trimethylcyclopentyl]-5-chloro-2-hydroxy-5-methylcyclohexyl acetate

> <ALOGPS_LOGP>
4.39

> <JCHEM_LOGP>
2.7791821253333326

> <ALOGPS_LOGS>
-4.78

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
14.68172977777876

> <JCHEM_PKA_STRONGEST_ACIDIC>
13.291067497501814

> <JCHEM_PKA_STRONGEST_BASIC>
-2.989713508564969

> <JCHEM_POLAR_SURFACE_AREA>
66.76

> <JCHEM_REFRACTIVITY>
99.9333

> <JCHEM_ROTATABLE_BOND_COUNT>
3

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
8.17e-03 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(1S,2R,4S,5S)-4-bromo-2-[(1S,3S,5R)-3-bromo-5-hydroxy-1,2,2-trimethylcyclopentyl]-5-chloro-2-hydroxy-5-methylcyclohexyl acetate

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 29-APR-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   29-APR-22         0                                  
HETATM    1  C   UNK     0       6.001   8.634   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       7.181   7.644   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       6.913   6.127   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       5.466   5.601   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       4.286   6.591   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       4.554   8.107   0.000  0.00  0.00           C+0
HETATM    7  O   UNK     0       3.374   9.097   0.000  0.00  0.00           O+0
HETATM    8  C   UNK     0       3.642  10.614   0.000  0.00  0.00           C+0
HETATM    9  O   UNK     0       2.462  11.604   0.000  0.00  0.00           O+0
HETATM   10  C   UNK     0       5.089  11.140   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       3.256   5.446   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       2.010   4.541   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       2.486   3.076   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       4.026   3.076   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       4.502   4.541   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       6.011   4.237   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       6.011   4.845   0.000  0.00  0.00           C+0
HETATM   18 Br   UNK     0       4.931   1.830   0.000  0.00  0.00          Br+0
HETATM   19  O   UNK     0       0.545   5.017   0.000  0.00  0.00           O+0
HETATM   20  C   UNK     0       2.225   6.591   0.000  0.00  0.00           C+0
HETATM   21  O   UNK     0       2.761   6.805   0.000  0.00  0.00           O+0
HETATM   22 Br   UNK     0       8.093   5.137   0.000  0.00  0.00          Br+0
HETATM   23  C   UNK     0       8.706   7.430   0.000  0.00  0.00           C+0
HETATM   24 Cl   UNK     0       8.211   8.788   0.000  0.00  0.00          Cl+0
CONECT    1    2    6                                                       
CONECT    2    1    3   23   24                                             
CONECT    3    2    4   22                                                  
CONECT    4    3    5                                                       
CONECT    5    4    6   11   21                                             
CONECT    6    5    1    7                                                  
CONECT    7    6    8                                                       
CONECT    8    7    9   10                                                  
CONECT    9    8                                                            
CONECT   10    8                                                            
CONECT   11    5   12   15   20                                             
CONECT   12   11   13   19                                                  
CONECT   13   12   14                                                       
CONECT   14   13   15   18                                                  
CONECT   15   14   11   16   17                                             
CONECT   16   15                                                            
CONECT   17   15                                                            
CONECT   18   14                                                            
CONECT   19   12                                                            
CONECT   20   11                                                            
CONECT   21    5                                                            
CONECT   22    3                                                            
CONECT   23    2                                                            
CONECT   24    2                                                            
MASTER        0    0    0    0    0    0    0    0   24    0   50    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₁₇H₂₇Br₂ClO₄

Average Mass

490.6600 Da

Monoisotopic Mass

487.99646 Da

IUPAC Name

(1S,2R,4S,5S)-4-bromo-2-[(1S,3S,5R)-3-bromo-5-hydroxy-1,2,2-trimethylcyclopentyl]-5-chloro-2-hydroxy-5-methylcyclohexyl acetate

Traditional Name

(1S,2R,4S,5S)-4-bromo-2-[(1S,3S,5R)-3-bromo-5-hydroxy-1,2,2-trimethylcyclopentyl]-5-chloro-2-hydroxy-5-methylcyclohexyl acetate

CAS Registry Number

Not Available

SMILES

CC(=O)O[C@H]1C[C@](C)(Cl)[C@@H](Br)C[C@@]1(O)[C@]1(C)[C@H](O)C[C@H](Br)C1(C)C

InChI Identifier

InChI=1S/C17H27Br2ClO4/c1-9(21)24-13-8-15(4,20)11(19)7-17(13,23)16(5)12(22)6-10(18)14(16,2)3/h10-13,22-23H,6-8H2,1-5H3/t10-,11-,12+,13-,15-,16+,17-/m0/s1

InChI Key

YZHYAKQANFUWDQ-IIVKZSCBSA-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
Aplysia dactylomela	Animalia	KNApSAcK

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as sesquiterpenoids. These are terpenes with three consecutive isoprene units.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Prenol lipids

Sub Class

Sesquiterpenoids

Direct Parent

Sesquiterpenoids

Alternative Parents

Substituents

Cuparane sesquiterpenoid
Sesquiterpenoid
Cyclohexyl halide
Cyclohexanol
Cyclopentanol
Cyclic alcohol
Tertiary alcohol
Carboxylic acid ester
Secondary alcohol
Carboxylic acid derivative
Monocarboxylic acid or derivatives
Organohalogen compound
Organooxygen compound
Hydrocarbon derivative
Organic oxide
Organic oxygen compound
Alcohol
Carbonyl group
Alkyl halide
Alkyl chloride
Alkyl bromide
Organobromide
Organochloride
Aliphatic homomonocyclic compound

Molecular Framework

Aliphatic homomonocyclic compounds

External Descriptors

Not Available

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	4.39	ALOGPS
logP	2.78	ChemAxon
logS	-4.8	ALOGPS
pKa (Strongest Acidic)	13.29	ChemAxon
pKa (Strongest Basic)	-3	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	3	ChemAxon
Hydrogen Donor Count	2	ChemAxon
Polar Surface Area	66.76 Å²	ChemAxon
Rotatable Bond Count	3	ChemAxon
Refractivity	99.93 m³·mol⁻¹	ChemAxon
Polarizability	42.04 Å³	ChemAxon
Number of Rings	2	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

External Links

HMDB ID

Not Available

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

Not Available

KNApSAcK ID

C00049690

Chemspider ID

8824136

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

10648778

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Not Available

Showing NP-Card for (+)-Algoane (NP0082770)

MOL for NP0082770 ((+)-Algoane)

3D MOL for NP0082770 ((+)-Algoane)

3D SDF for NP0082770 ((+)-Algoane)

3D-SDF for NP0082770 ((+)-Algoane)

PDB for NP0082770 ((+)-Algoane)

3D PDB for NP0082770 ((+)-Algoane)

SMILES for NP0082770 ((+)-Algoane)

INCHI for NP0082770 ((+)-Algoane)

Structure for NP0082770 ((+)-Algoane)

3D Structure for NP0082770 ((+)-Algoane)