NP-MRD: Showing NP-Card for (-)-Sarcopetaloic acid (NP0081167)

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Record Information

Version

1.0

Created at

2022-04-29 02:08:05 UTC

Updated at

2022-04-29 02:08:05 UTC

NP-MRD ID

NP0081167

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(-)-Sarcopetaloic acid

Description

2-[(1S,1'S,4'aS,8'aR)-3,5',5',8'a-tetramethyl-6'-oxo-3',4',4'a,5',6',7',8',8'a-octahydro-1'H-spiro[cyclopentane-1,2'-naphthalene]-2,4-dien-1'-yl]acetic acid belongs to the class of organic compounds known as cyclic ketones. These are organic compounds containing a ketone that is conjugated to a cyclic moiety. (-)-Sarcopetaloic acid is found in Croton sarcopetalus. Based on a literature review very few articles have been published on 2-[(1S,1'S,4'aS,8'aR)-3,5',5',8'a-tetramethyl-6'-oxo-3',4',4'a,5',6',7',8',8'a-octahydro-1'H-spiro[cyclopentane-1,2'-naphthalene]-2,4-dien-1'-yl]acetic acid.

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 51 53  0  0  0  0  0  0  0  0999 V2000
    5.2693    0.9644   -0.5434 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7957    0.8648   -0.1894 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8387    0.4086   -0.9539 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5571    0.4932   -0.2144 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.9019    1.0329    1.0621 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2056    1.2557    1.0795 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8194    1.5720   -1.0742 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5750    1.7079   -0.5762 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3610    0.4169   -0.7377 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.7553    0.6786   -0.3308 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.0076    2.2035   -0.3608 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7894    0.0749   -1.2529 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1278    0.2698    1.0419 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9653    0.8479    1.7097 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4480   -0.8990    1.6290 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9622   -0.7044    1.3870 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6688   -0.7415   -0.0793 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.2259   -2.0165   -0.7265 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8192   -0.7528   -0.3894 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.4498   -2.0471   -0.0179 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8458   -2.3010    1.3443 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5737   -1.6176    2.0816 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3520   -3.4836    1.9528 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7270    1.6578    0.1730 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6862   -0.0568   -0.4917 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3975    1.3881   -1.5570 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9614    0.0310   -1.9697 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3338    1.2828    1.9618 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8051    1.6776    1.9064 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3721    2.5045   -0.8833 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9108    1.1970   -2.1120 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5113    1.9723    0.5026 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0715    2.4700   -1.2066 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3518    0.2128   -1.8506 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0804    2.5874   -1.3753 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3783    2.7525    0.3442 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0552    2.2932    0.0651 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3813   -0.1866   -2.2533 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5518    0.8536   -1.4574 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3720   -0.7571   -0.7837 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8406   -1.8509    1.2696 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5717   -0.8926    2.7523 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7979    0.3569    1.7172 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4261   -1.4135    2.0106 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1326   -2.8851   -0.0448 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2870   -1.8834   -1.0457 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6984   -2.2884   -1.6581 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7585   -0.8378   -1.5540 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7997   -2.8713   -0.4511 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4031   -2.2191   -0.6434 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8108   -3.3226    2.7937 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  4  3  1  0
  4  7  1  6
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  1
 10 12  1  0
 10 13  1  0
 13 14  2  0
 13 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  6
 17 19  1  0
 19 20  1  0
 20 21  1  0
 21 23  1  0
 21 22  2  0
  4  5  1  0
  5  6  2  0
  6  2  1  0
 19  4  1  0
 17  9  1  0
  1 24  1  0
  1 25  1  0
  1 26  1  0
  3 27  1  0
  7 30  1  0
  7 31  1  0
  8 32  1  0
  8 33  1  0
  9 34  1  6
 11 35  1  0
 11 36  1  0
 11 37  1  0
 12 38  1  0
 12 39  1  0
 12 40  1  0
 15 41  1  0
 15 42  1  0
 16 43  1  0
 16 44  1  0
 18 45  1  0
 18 46  1  0
 18 47  1  0
 19 48  1  6
 20 49  1  0
 20 50  1  0
 23 51  1  0
  5 28  1  0
  6 29  1  0
M  END


  Mrv1652304292204082D          

 23 25  0  0  1  0            999 V2000
    4.1478    1.3508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3683    2.1457    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1671    2.3522    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7902    2.7343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9914    2.5278    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.7708    1.7328    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.3490    1.1443    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9721    1.5264    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.3939    2.1149    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.6145    2.9099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4133    3.1163    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0915    1.3474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2680    1.3978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0616    2.1966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7574    2.6398    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7060    2.4991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7515    0.7314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3297    0.1429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1284    0.3494    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1091   -0.6521    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5503    0.9379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3582    3.3326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6117    3.5397    0.0000 C   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
  2  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
  1  7  1  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
  5 11  1  6  0  0  0
  9 12  1  6  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
  9 15  1  0  0  0  0
 14 16  1  0  0  0  0
  8 17  1  6  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
  6 21  1  1  0  0  0
  4 22  1  0  0  0  0
  4 23  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0081167

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC1=C[C@]2(CC[C@@H]3C(C)(C)C(=O)CC[C@]3(C)[C@@H]2CC(O)=O)C=C1

> <INCHI_IDENTIFIER>
InChI=1S/C20H28O3/c1-13-5-9-20(12-13)10-6-14-18(2,3)16(21)7-8-19(14,4)15(20)11-17(22)23/h5,9,12,14-15H,6-8,10-11H2,1-4H3,(H,22,23)/t14-,15+,19+,20-/m1/s1

> <INCHI_KEY>
PTNYLVIHHOOWHT-VVVONTASSA-N

> <FORMULA>
C20H28O3

> <MOLECULAR_WEIGHT>
316.441

> <EXACT_MASS>
316.203844762

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_ATOM_COUNT>
51

> <JCHEM_AVERAGE_POLARIZABILITY>
35.578006845047646

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
2-[(1S,1'S,4'aS,8'aR)-3,5',5',8'a-tetramethyl-6'-oxo-3',4',4'a,5',6',7',8',8'a-octahydro-1'H-spiro[cyclopentane-1,2'-naphthalene]-2,4-dien-1'-yl]acetic acid

> <ALOGPS_LOGP>
4.04

> <JCHEM_LOGP>
3.8300331833333323

> <ALOGPS_LOGS>
-4.04

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
19.95867330267067

> <JCHEM_PKA_STRONGEST_ACIDIC>
4.778957117708255

> <JCHEM_PKA_STRONGEST_BASIC>
-7.470885163760265

> <JCHEM_POLAR_SURFACE_AREA>
54.370000000000005

> <JCHEM_REFRACTIVITY>
92.0487

> <JCHEM_ROTATABLE_BOND_COUNT>
2

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
2.91e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(1S,1'S,4'aS,8'aR)-3,5',5',8'a-tetramethyl-6'-oxo-1',3',4',4'a,7',8'-hexahydrospiro[cyclopentane-1,2'-naphthalene]-2,4-dien-1'-ylacetic acid

> <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       7.742   2.521   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       8.154   4.005   0.000  0.00  0.00           C+0
HETATM    3  O   UNK     0       9.645   4.391   0.000  0.00  0.00           O+0
HETATM    4  C   UNK     0       7.075   5.104   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       5.584   4.719   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       5.172   3.235   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       6.251   2.136   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       3.681   2.849   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       2.602   3.948   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       3.014   5.432   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       4.505   5.817   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       2.037   2.515   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       0.500   2.609   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       0.115   4.100   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       1.414   4.928   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      -1.318   4.665   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       3.269   1.365   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       4.349   0.267   0.000  0.00  0.00           C+0
HETATM   19  O   UNK     0       5.840   0.652   0.000  0.00  0.00           O+0
HETATM   20  O   UNK     0       3.937  -1.217   0.000  0.00  0.00           O+0
HETATM   21  C   UNK     0       4.760   1.751   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       8.135   6.221   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       6.742   6.607   0.000  0.00  0.00           C+0
CONECT    1    2    7                                                       
CONECT    2    1    3    4                                                  
CONECT    3    2                                                            
CONECT    4    2    5   22   23                                             
CONECT    5    4    6   11                                                  
CONECT    6    5    7    8   21                                             
CONECT    7    6    1                                                       
CONECT    8    6    9   17                                                  
CONECT    9    8   10   12   15                                             
CONECT   10    9   11                                                       
CONECT   11   10    5                                                       
CONECT   12    9   13                                                       
CONECT   13   12   14                                                       
CONECT   14   13   15   16                                                  
CONECT   15   14    9                                                       
CONECT   16   14                                                            
CONECT   17    8   18                                                       
CONECT   18   17   19   20                                                  
CONECT   19   18                                                            
CONECT   20   18                                                            
CONECT   21    6                                                            
CONECT   22    4                                                            
CONECT   23    4                                                            
MASTER        0    0    0    0    0    0    0    0   23    0   50    0
END

View in JSmol

Synonyms

Value	Source
2-[(1S,1's,4'AS,8'ar)-3,5',5',8'a-tetramethyl-6'-oxo-3',4',4'a,5',6',7',8',8'a-octahydro-1'H-spiro[cyclopentane-1,2'-naphthalene]-2,4-dien-1'-yl]acetate	Generator

Chemical Formula

C₂₀H₂₈O₃

Average Mass

316.4410 Da

Monoisotopic Mass

316.20384 Da

IUPAC Name

2-[(1S,1'S,4'aS,8'aR)-3,5',5',8'a-tetramethyl-6'-oxo-3',4',4'a,5',6',7',8',8'a-octahydro-1'H-spiro[cyclopentane-1,2'-naphthalene]-2,4-dien-1'-yl]acetic acid

Traditional Name

(1S,1'S,4'aS,8'aR)-3,5',5',8'a-tetramethyl-6'-oxo-1',3',4',4'a,7',8'-hexahydrospiro[cyclopentane-1,2'-naphthalene]-2,4-dien-1'-ylacetic acid

CAS Registry Number

Not Available

SMILES

CC1=C[C@]2(CC[C@@H]3C(C)(C)C(=O)CC[C@]3(C)[C@@H]2CC(O)=O)C=C1

InChI Identifier

InChI=1S/C20H28O3/c1-13-5-9-20(12-13)10-6-14-18(2,3)16(21)7-8-19(14,4)15(20)11-17(22)23/h5,9,12,14-15H,6-8,10-11H2,1-4H3,(H,22,23)/t14-,15+,19+,20-/m1/s1

InChI Key

PTNYLVIHHOOWHT-VVVONTASSA-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
Croton sarcopetalus	Plant	KNApSAcK

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as cyclic ketones. These are organic compounds containing a ketone that is conjugated to a cyclic moiety.

Kingdom

Organic compounds

Super Class

Organic oxygen compounds

Class

Organooxygen compounds

Sub Class

Carbonyl compounds

Direct Parent

Cyclic ketones

Alternative Parents

Substituents

Cyclic ketone
Monocarboxylic acid or derivatives
Carboxylic acid
Carboxylic acid derivative
Organic oxide
Hydrocarbon derivative
Aliphatic homopolycyclic compound

Molecular Framework

Aliphatic homopolycyclic 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	4.04	ALOGPS
logP	3.83	ChemAxon
logS	-4	ALOGPS
pKa (Strongest Acidic)	4.78	ChemAxon
pKa (Strongest Basic)	-7.5	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	3	ChemAxon
Hydrogen Donor Count	1	ChemAxon
Polar Surface Area	54.37 Å²	ChemAxon
Rotatable Bond Count	2	ChemAxon
Refractivity	92.05 m³·mol⁻¹	ChemAxon
Polarizability	35.58 Å³	ChemAxon
Number of Rings	3	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	Yes	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

Not Available

Chemspider ID

Not Available

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

163002984

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Not Available

Showing NP-Card for (-)-Sarcopetaloic acid (NP0081167)

MOL for NP0081167 ((-)-Sarcopetaloic acid)

3D MOL for NP0081167 ((-)-Sarcopetaloic acid)

3D SDF for NP0081167 ((-)-Sarcopetaloic acid)

3D-SDF for NP0081167 ((-)-Sarcopetaloic acid)

PDB for NP0081167 ((-)-Sarcopetaloic acid)

3D PDB for NP0081167 ((-)-Sarcopetaloic acid)

SMILES for NP0081167 ((-)-Sarcopetaloic acid)

INCHI for NP0081167 ((-)-Sarcopetaloic acid)

Structure for NP0081167 ((-)-Sarcopetaloic acid)

3D Structure for NP0081167 ((-)-Sarcopetaloic acid)