NP-MRD: Showing NP-Card for Dehydrocarpaine I (NP0045867)

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Record Information

Version

2.0

Created at

2022-03-17 19:44:33 UTC

Updated at

2022-03-17 19:44:33 UTC

NP-MRD ID

NP0045867

Secondary Accession Numbers

None

Natural Product Identification

Common Name

Dehydrocarpaine I

Description

Dehydrocarpaine I belongs to the class of organic compounds known as macrolides and analogues. These are organic compounds containing a lactone ring of at least twelve members. Dehydrocarpaine I is a very strong basic compound (based on its pKa). Outside of the human body, dehydrocarpaine I has been detected, but not quantified in, fruits and papaya. This could make dehydrocarpaine I a potential biomarker for the consumption of these foods.

Structure

MOL SDF PDB SMILES InChI


  Mrv0541 05061305072D          

 34 36  0  0  0  0            999 V2000
    1.6337   -3.6397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3690   -3.2655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4126   -2.4416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7209   -1.9920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7645   -1.1681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4998   -0.7940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5433    0.0299    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8517    0.4796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8953    1.3034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2036    1.7531    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4683    1.3789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1952    1.4823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2022    0.6573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9202    0.2509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6311    0.6695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3491    0.2630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3561   -0.5619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6451   -0.9805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6521   -1.8054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9412   -2.2240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9412   -3.0330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2130   -3.4378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4849   -3.1145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2068   -3.5642    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9420   -3.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9856   -2.3661    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2130   -1.8199    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4849   -2.2240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1616   -1.8199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1164    0.1054    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4247    0.5551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3105    0.1809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9062    1.9009    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3300    1.8887    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 25  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
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 30  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 31  1  0  0  0  0
 12 13  1  0  0  0  0
 12 33  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  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
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 27  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 28  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 30 31  2  0  0  0  0
 31 32  1  0  0  0  0
 12 34  1  0  0  0  0
 11 34  1  0  0  0  0
M  END


  Mrv0541 05061305072D          

 34 36  0  0  0  0            999 V2000
    1.6337   -3.6397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3690   -3.2655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4126   -2.4416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7209   -1.9920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7645   -1.1681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4998   -0.7940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5433    0.0299    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8517    0.4796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8953    1.3034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2036    1.7531    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4683    1.3789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1952    1.4823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2022    0.6573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9202    0.2509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6311    0.6695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3491    0.2630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3561   -0.5619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6451   -0.9805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6521   -1.8054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9412   -2.2240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9412   -3.0330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2130   -3.4378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4849   -3.1145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2068   -3.5642    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9420   -3.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9856   -2.3661    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2130   -1.8199    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4849   -2.2240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1616   -1.8199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1164    0.1054    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4247    0.5551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3105    0.1809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9062    1.9009    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3300    1.8887    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 25  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
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 30  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 31  1  0  0  0  0
 12 13  1  0  0  0  0
 12 33  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  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
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 27  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 28  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 30 31  2  0  0  0  0
 31 32  1  0  0  0  0
 12 34  1  0  0  0  0
 11 34  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0045867

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC1NC2CCC1OC(=O)CCCCCCCC1CCC(OC(=O)CCCCCCC2)C(C)=N1

> <INCHI_IDENTIFIER>
InChI=1S/C28H48N2O4/c1-21-25-19-17-23(29-21)13-9-5-3-8-12-16-28(32)34-26-20-18-24(30-22(26)2)14-10-6-4-7-11-15-27(31)33-25/h21,23-26,29H,3-20H2,1-2H3

> <INCHI_KEY>
KGQYREIAHMZYSA-UHFFFAOYSA-N

> <FORMULA>
C28H48N2O4

> <MOLECULAR_WEIGHT>
476.6917

> <EXACT_MASS>
476.361408034

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_AVERAGE_POLARIZABILITY>
56.76514803166327

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
13,26-dimethyl-2,15-dioxa-12,25-diazatricyclo[22.2.2.2¹¹,¹⁴]triacont-12-ene-3,16-dione

> <ALOGPS_LOGP>
5.43

> <JCHEM_LOGP>
6.043759711999998

> <ALOGPS_LOGS>
-6.13

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA_STRONGEST_BASIC>
9.59773958287359

> <JCHEM_POLAR_SURFACE_AREA>
76.99

> <JCHEM_REFRACTIVITY>
134.1968

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
3.50e-04 g/l

> <JCHEM_TRADITIONAL_IUPAC>
13,26-dimethyl-2,15-dioxa-12,25-diazatricyclo[22.2.2.2¹¹,¹⁴]triacont-12-ene-3,16-dione

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 06-MAY-13   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   06-MAY-13         0                                  
HETATM    1  C   UNK     0       3.050  -6.794   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       4.422  -6.096   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       4.504  -4.558   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       3.212  -3.718   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       3.294  -2.180   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       4.666  -1.482   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       4.747   0.056   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       3.457   0.895   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       3.538   2.433   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       2.247   3.272   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       0.874   2.574   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      -2.231   2.767   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      -2.244   1.227   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      -3.584   0.468   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      -4.911   1.250   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      -6.252   0.491   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      -6.265  -1.049   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      -4.938  -1.830   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      -4.951  -3.370   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      -3.624  -4.151   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      -3.624  -5.662   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      -2.264  -6.417   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0      -0.905  -5.814   0.000  0.00  0.00           C+0
HETATM   24  O   UNK     0       0.386  -6.653   0.000  0.00  0.00           O+0
HETATM   25  C   UNK     0       1.758  -5.955   0.000  0.00  0.00           C+0
HETATM   26  O   UNK     0       1.840  -4.417   0.000  0.00  0.00           O+0
HETATM   27  N   UNK     0      -2.264  -3.397   0.000  0.00  0.00           N+0
HETATM   28  C   UNK     0      -0.905  -4.151   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0       0.302  -3.397   0.000  0.00  0.00           C+0
HETATM   30  N   UNK     0       2.084   0.197   0.000  0.00  0.00           N+0
HETATM   31  C   UNK     0       0.793   1.036   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0      -0.580   0.338   0.000  0.00  0.00           C+0
HETATM   33  O   UNK     0      -3.558   3.548   0.000  0.00  0.00           O+0
HETATM   34  O   UNK     0      -0.616   3.526   0.000  0.00  0.00           O+0
CONECT    1    2   25                                                       
CONECT    2    1    3                                                       
CONECT    3    2    4                                                       
CONECT    4    3    5                                                       
CONECT    5    4    6                                                       
CONECT    6    5    7                                                       
CONECT    7    6    8                                                       
CONECT    8    7    9   30                                                  
CONECT    9    8   10                                                       
CONECT   10    9   11                                                       
CONECT   11   10   31   34                                                  
CONECT   12   13   33   34                                                  
CONECT   13   12   14                                                       
CONECT   14   13   15                                                       
CONECT   15   14   16                                                       
CONECT   16   15   17                                                       
CONECT   17   16   18                                                       
CONECT   18   17   19                                                       
CONECT   19   18   20                                                       
CONECT   20   19   21   27                                                  
CONECT   21   20   22                                                       
CONECT   22   21   23                                                       
CONECT   23   22   24   28                                                  
CONECT   24   23   25                                                       
CONECT   25    1   24   26                                                  
CONECT   26   25                                                            
CONECT   27   20   28                                                       
CONECT   28   23   27   29                                                  
CONECT   29   28                                                            
CONECT   30    8   31                                                       
CONECT   31   11   30   32                                                  
CONECT   32   31                                                            
CONECT   33   12                                                            
CONECT   34   12   11                                                       
MASTER        0    0    0    0    0    0    0    0   34    0   72    0
END

View in JSmol

Synonyms

Value	Source
12,13-Didehydrocarpaine, 9ci	HMDB

Chemical Formula

C₂₈H₄₈N₂O₄

Average Mass

476.6917 Da

Monoisotopic Mass

476.36141 Da

IUPAC Name

13,26-dimethyl-2,15-dioxa-12,25-diazatricyclo[22.2.2.2¹¹,¹⁴]triacont-12-ene-3,16-dione

Traditional Name

13,26-dimethyl-2,15-dioxa-12,25-diazatricyclo[22.2.2.2¹¹,¹⁴]triacont-12-ene-3,16-dione

CAS Registry Number

72362-02-8

SMILES

CC1NC2CCC1OC(=O)CCCCCCCC1CCC(OC(=O)CCCCCCC2)C(C)=N1

InChI Identifier

InChI=1S/C28H48N2O4/c1-21-25-19-17-23(29-21)13-9-5-3-8-12-16-28(32)34-26-20-18-24(30-22(26)2)14-10-6-4-7-11-15-27(31)33-25/h21,23-26,29H,3-20H2,1-2H3

InChI Key

KGQYREIAHMZYSA-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, 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
Carica papaya L.	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as macrolides and analogues. These are organic compounds containing a lactone ring of at least twelve members.

Kingdom

Organic compounds

Super Class

Phenylpropanoids and polyketides

Class

Macrolides and analogues

Sub Class

Not Available

Direct Parent

Macrolides and analogues

Alternative Parents

Not Available

Substituents

Not Available

Molecular Framework

Aliphatic heteropolycyclic 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	5.43	ALOGPS
logP	6.04	ChemAxon
logS	-6.1	ALOGPS
pKa (Strongest Basic)	9.6	ChemAxon
Physiological Charge	1	ChemAxon
Hydrogen Acceptor Count	4	ChemAxon
Hydrogen Donor Count	1	ChemAxon
Polar Surface Area	76.99 Å²	ChemAxon
Rotatable Bond Count	0	ChemAxon
Refractivity	134.2 m³·mol⁻¹	ChemAxon
Polarizability	56.77 Å³	ChemAxon
Number of Rings	3	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

HMDB ID

HMDB0030271

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

FDB002102

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

131750991

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Not Available

Showing NP-Card for Dehydrocarpaine I (NP0045867)

MOL for NP0045867 (Dehydrocarpaine I)

3D MOL for NP0045867 (Dehydrocarpaine I)

3D SDF for NP0045867 (Dehydrocarpaine I)

3D-SDF for NP0045867 (Dehydrocarpaine I)

PDB for NP0045867 (Dehydrocarpaine I)

3D PDB for NP0045867 (Dehydrocarpaine I)

SMILES for NP0045867 (Dehydrocarpaine I)

INCHI for NP0045867 (Dehydrocarpaine I)

Structure for NP0045867 (Dehydrocarpaine I)

3D Structure for NP0045867 (Dehydrocarpaine I)