NP-MRD: Showing NP-Card for 11-(hydroxymethyl)-4,4,6b,8a,11,12b,14b-heptamethyl-1,2,3,4a,5,7,8,9,10,12,12a,13-dodecahydropicen-3-yl 4-aminobenzoate (NP0270650)

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Record Information

Version

2.0

Created at

2022-09-08 16:40:26 UTC

Updated at

2022-09-08 16:40:27 UTC

NP-MRD ID

NP0270650

Secondary Accession Numbers

None

Natural Product Identification

Common Name

11-(hydroxymethyl)-4,4,6b,8a,11,12b,14b-heptamethyl-1,2,3,4a,5,7,8,9,10,12,12a,13-dodecahydropicen-3-yl 4-aminobenzoate

Description

Debenzoylzucchini factor B belongs to the class of organic compounds known as triterpenoids. These are terpene molecules containing six isoprene units. Debenzoylzucchini factor B is a moderately basic compound (based on its pKa). Outside of the human body, Debenzoylzucchini factor B has been detected, but not quantified in, fruits. 11-(hydroxymethyl)-4,4,6b,8a,11,12b,14b-heptamethyl-1,2,3,4a,5,7,8,9,10,12,12a,13-dodecahydropicen-3-yl 4-aminobenzoate is found in Cucurbita pepo. This could make debenzoylzucchini factor b a potential biomarker for the consumption of these foods.

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv0541 02241217022D          

 41 46  0  0  0  0            999 V2000
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M  END

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M  END


  Mrv0541 02241217022D          

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    0.0007   -0.4971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4292   -2.1472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1443   -1.7346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1443   -0.9096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4292   -0.4971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8580   -0.4971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8580    0.3278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1443    0.7404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4292    0.3278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5730   -0.9096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2867   -0.4971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2867    0.3278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5730    0.7404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0017    0.7404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0017    1.5654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2867    1.9779    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5730    1.5654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4294   -2.1472    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5301   -2.7796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5301   -2.7796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7143   -0.0845    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8580    1.1529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8580   -1.3221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0017   -0.0845    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7573    2.6104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8175    2.6104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5356    3.3847    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5716   -1.7346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2867   -2.1472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2867   -2.9722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5716   -3.3847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8580   -2.9722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0017   -3.3847    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1430   -1.7346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8580   -2.1472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1430   -0.9096    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  6  1  0  0  0  0
  2  3  1  0  0  0  0
  2 23  1  0  0  0  0
  3  4  1  0  0  0  0
  3 24  1  0  0  0  0
  3 25  1  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  5  6  1  0  0  0  0
  5 10  1  0  0  0  0
  5 26  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
 10 14  2  0  0  0  0
 11 12  1  0  0  0  0
 11 15  1  0  0  0  0
 11 28  1  0  0  0  0
 12 13  1  0  0  0  0
 12 18  1  0  0  0  0
 12 27  1  0  0  0  0
 13 14  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 17 29  1  0  0  0  0
 18 22  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 30  1  0  0  0  0
 21 31  1  0  0  0  0
 23 39  1  0  0  0  0
 31 32  1  0  0  0  0
 33 34  1  0  0  0  0
 33 40  2  0  0  0  0
 34 35  2  0  0  0  0
 35 36  1  0  0  0  0
 35 38  1  0  0  0  0
 36 37  2  0  0  0  0
 37 40  1  0  0  0  0
 39 40  1  0  0  0  0
 39 41  2  0  0  0  0
M  END
> <DATABASE_ID>
NP0270650

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC1(CO)CCC2(C)CCC3(C)C4=CCC5C(C)(C)C(CCC5(C)C4=CCC3(C)C2C1)OC(=O)C1=CC=C(N)C=C1

> <INCHI_IDENTIFIER>
InChI=1S/C37H53NO3/c1-32(2)28-13-12-27-26(35(28,5)16-15-30(32)41-31(40)24-8-10-25(38)11-9-24)14-17-37(7)29-22-33(3,23-39)18-19-34(29,4)20-21-36(27,37)6/h8-12,14,28-30,39H,13,15-23,38H2,1-7H3

> <INCHI_KEY>
ZWMUXUKAKHYXMZ-UHFFFAOYSA-N

> <FORMULA>
C37H53NO3

> <MOLECULAR_WEIGHT>
559.8216

> <EXACT_MASS>
559.402544567

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_AVERAGE_POLARIZABILITY>
67.9410554687361

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
11-(hydroxymethyl)-4,4,6b,8a,11,12b,14b-heptamethyl-1,2,3,4,4a,5,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-octadecahydropicen-3-yl 4-aminobenzoate

> <ALOGPS_LOGP>
8.11

> <JCHEM_LOGP>
7.383164090999999

> <ALOGPS_LOGS>
-6.43

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
6

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
18.219760205383754

> <JCHEM_PKA_STRONGEST_BASIC>
2.7968910595467684

> <JCHEM_POLAR_SURFACE_AREA>
72.55000000000001

> <JCHEM_REFRACTIVITY>
169.05439999999996

> <JCHEM_ROTATABLE_BOND_COUNT>
4

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
2.08e-04 g/l

> <JCHEM_TRADITIONAL_IUPAC>
11-(hydroxymethyl)-4,4,6b,8a,11,12b,14b-heptamethyl-1,2,3,4a,5,7,8,9,10,12,12a,13-dodecahydropicen-3-yl 4-aminobenzoate

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 24-FEB-12   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   24-FEB-12         0                                  
HETATM    1  C   UNK     0      -1.333  -1.698   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      -1.333  -3.238   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       0.001  -4.008   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       1.333  -3.238   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       1.333  -1.698   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       0.001  -0.928   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       2.668  -4.008   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       4.003  -3.238   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       4.003  -1.698   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       2.668  -0.928   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       5.335  -0.928   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       5.335   0.612   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       4.003   1.382   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       2.668   0.612   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       6.670  -1.698   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       8.002  -0.928   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       8.002   0.612   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       6.670   1.382   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       9.337   1.382   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       9.337   2.922   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       8.002   3.692   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       6.670   2.922   0.000  0.00  0.00           C+0
HETATM   23  O   UNK     0      -2.668  -4.008   0.000  0.00  0.00           O+0
HETATM   24  C   UNK     0      -0.990  -5.189   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0       0.990  -5.189   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0       1.333  -0.158   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0       5.335   2.152   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0       5.335  -2.468   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0       9.337  -0.158   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0       7.014   4.873   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0       8.993   4.873   0.000  0.00  0.00           C+0
HETATM   32  O   UNK     0       8.466   6.318   0.000  0.00  0.00           O+0
HETATM   33  C   UNK     0      -6.667  -3.238   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0      -8.002  -4.008   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0      -8.002  -5.548   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0      -6.667  -6.318   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0      -5.335  -5.548   0.000  0.00  0.00           C+0
HETATM   38  N   UNK     0      -9.337  -6.318   0.000  0.00  0.00           N+0
HETATM   39  C   UNK     0      -4.000  -3.238   0.000  0.00  0.00           C+0
HETATM   40  C   UNK     0      -5.335  -4.008   0.000  0.00  0.00           C+0
HETATM   41  O   UNK     0      -4.000  -1.698   0.000  0.00  0.00           O+0
CONECT    1    2    6                                                       
CONECT    2    1    3   23                                                  
CONECT    3    2    4   24   25                                             
CONECT    4    3    5    7                                                  
CONECT    5    4    6   10   26                                             
CONECT    6    1    5                                                       
CONECT    7    4    8                                                       
CONECT    8    7    9                                                       
CONECT    9    8   10   11                                                  
CONECT   10    5    9   14                                                  
CONECT   11    9   12   15   28                                             
CONECT   12   11   13   18   27                                             
CONECT   13   12   14                                                       
CONECT   14   10   13                                                       
CONECT   15   11   16                                                       
CONECT   16   15   17                                                       
CONECT   17   16   18   19   29                                             
CONECT   18   12   17   22                                                  
CONECT   19   17   20                                                       
CONECT   20   19   21                                                       
CONECT   21   20   22   30   31                                             
CONECT   22   18   21                                                       
CONECT   23    2   39                                                       
CONECT   24    3                                                            
CONECT   25    3                                                            
CONECT   26    5                                                            
CONECT   27   12                                                            
CONECT   28   11                                                            
CONECT   29   17                                                            
CONECT   30   21                                                            
CONECT   31   21   32                                                       
CONECT   32   31                                                            
CONECT   33   34   40                                                       
CONECT   34   33   35                                                       
CONECT   35   34   36   38                                                  
CONECT   36   35   37                                                       
CONECT   37   36   40                                                       
CONECT   38   35                                                            
CONECT   39   23   40   41                                                  
CONECT   40   33   37   39                                                  
CONECT   41   39                                                            
MASTER        0    0    0    0    0    0    0    0   41    0   92    0
END

View in JSmol

Synonyms

Value	Source
11-(Hydroxymethyl)-4,4,6b,8a,11,12b,14b-heptamethyl-1,2,3,4,4a,5,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-octadecahydropicen-3-yl 4-aminobenzoic acid	Generator

Chemical Formula

C₃₇H₅₃NO₃

Average Mass

559.8216 Da

Monoisotopic Mass

559.40254 Da

IUPAC Name

11-(hydroxymethyl)-4,4,6b,8a,11,12b,14b-heptamethyl-1,2,3,4,4a,5,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-octadecahydropicen-3-yl 4-aminobenzoate

Traditional Name

11-(hydroxymethyl)-4,4,6b,8a,11,12b,14b-heptamethyl-1,2,3,4a,5,7,8,9,10,12,12a,13-dodecahydropicen-3-yl 4-aminobenzoate

CAS Registry Number

Not Available

SMILES

CC1(CO)CCC2(C)CCC3(C)C4=CCC5C(C)(C)C(CCC5(C)C4=CCC3(C)C2C1)OC(=O)C1=CC=C(N)C=C1

InChI Identifier

InChI=1S/C37H53NO3/c1-32(2)28-13-12-27-26(35(28,5)16-15-30(32)41-31(40)24-8-10-25(38)11-9-24)14-17-37(7)29-22-33(3,23-39)18-19-34(29,4)20-21-36(27,37)6/h8-12,14,28-30,39H,13,15-23,38H2,1-7H3

InChI Key

ZWMUXUKAKHYXMZ-UHFFFAOYSA-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, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 100 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 252 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 1000 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 50 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 200 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 75 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 300 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 101 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 126 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 151 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 176 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 700 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 201 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 800 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 226 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 900 MHz, H₂O, 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
Cucurbita pepo	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as triterpenoids. These are terpene molecules containing six isoprene units.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Prenol lipids

Sub Class

Triterpenoids

Direct Parent

Triterpenoids

Alternative Parents

Substituents

Triterpenoid
Aminobenzoic acid or derivatives
Benzoate ester
Benzoic acid or derivatives
Benzoyl
Aniline or substituted anilines
Benzenoid
Monocyclic benzene moiety
Amino acid or derivatives
Carboxylic acid ester
Carboxylic acid derivative
Monocarboxylic acid or derivatives
Hydrocarbon derivative
Organonitrogen compound
Organooxygen compound
Primary alcohol
Alcohol
Organopnictogen compound
Organic oxygen compound
Primary amine
Organic nitrogen compound
Organic oxide
Amine
Aromatic homopolycyclic compound

Molecular Framework

Aromatic 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	8.11	ALOGPS
logP	7.38	ChemAxon
logS	-6.4	ALOGPS
pKa (Strongest Acidic)	18.22	ChemAxon
pKa (Strongest Basic)	2.8	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	3	ChemAxon
Hydrogen Donor Count	2	ChemAxon
Polar Surface Area	72.55 Å²	ChemAxon
Rotatable Bond Count	4	ChemAxon
Refractivity	169.05 m³·mol⁻¹	ChemAxon
Polarizability	67.94 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

HMDB ID

HMDB0037102

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

FDB016092

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

131752152

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for 11-(hydroxymethyl)-4,4,6b,8a,11,12b,14b-heptamethyl-1,2,3,4a,5,7,8,9,10,12,12a,13-dodecahydropicen-3-yl 4-aminobenzoate (NP0270650)

MOL for NP0270650 (11-(hydroxymethyl)-4,4,6b,8a,11,12b,14b-heptamethyl-1,2,3,4a,5,7,8,9,10,12,12a,13-dodecahydropicen-3-yl 4-aminobenzoate)

3D MOL for NP0270650 (11-(hydroxymethyl)-4,4,6b,8a,11,12b,14b-heptamethyl-1,2,3,4a,5,7,8,9,10,12,12a,13-dodecahydropicen-3-yl 4-aminobenzoate)

3D SDF for NP0270650 (11-(hydroxymethyl)-4,4,6b,8a,11,12b,14b-heptamethyl-1,2,3,4a,5,7,8,9,10,12,12a,13-dodecahydropicen-3-yl 4-aminobenzoate)

3D-SDF for NP0270650 (11-(hydroxymethyl)-4,4,6b,8a,11,12b,14b-heptamethyl-1,2,3,4a,5,7,8,9,10,12,12a,13-dodecahydropicen-3-yl 4-aminobenzoate)

PDB for NP0270650 (11-(hydroxymethyl)-4,4,6b,8a,11,12b,14b-heptamethyl-1,2,3,4a,5,7,8,9,10,12,12a,13-dodecahydropicen-3-yl 4-aminobenzoate)

3D PDB for NP0270650 (11-(hydroxymethyl)-4,4,6b,8a,11,12b,14b-heptamethyl-1,2,3,4a,5,7,8,9,10,12,12a,13-dodecahydropicen-3-yl 4-aminobenzoate)

SMILES for NP0270650 (11-(hydroxymethyl)-4,4,6b,8a,11,12b,14b-heptamethyl-1,2,3,4a,5,7,8,9,10,12,12a,13-dodecahydropicen-3-yl 4-aminobenzoate)

INCHI for NP0270650 (11-(hydroxymethyl)-4,4,6b,8a,11,12b,14b-heptamethyl-1,2,3,4a,5,7,8,9,10,12,12a,13-dodecahydropicen-3-yl 4-aminobenzoate)

Structure for NP0270650 (11-(hydroxymethyl)-4,4,6b,8a,11,12b,14b-heptamethyl-1,2,3,4a,5,7,8,9,10,12,12a,13-dodecahydropicen-3-yl 4-aminobenzoate)

3D Structure for NP0270650 (11-(hydroxymethyl)-4,4,6b,8a,11,12b,14b-heptamethyl-1,2,3,4a,5,7,8,9,10,12,12a,13-dodecahydropicen-3-yl 4-aminobenzoate)