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Natural product data
General information of the natural product
Name
(Common name of the natural product)
Marihuana
Molecular formula
(Molecular formula)
C21H30O2
Molecular weight
(Molecular weight of natural product)
Synonyms name
(Synonyms for the name of the natural product)
(+/-)-Cannabidiol, D1(2)-trans-Cannabidiol, 2-(6-Isopropenyl-3-methyl-2-cyclohexen-1-yl)-5-pentyl-1,3-benzenediol, 2-(6-Isopropenyl-3-methyl-cyclohex-2-enyl)-5-pentyl-benzene-1,3-diol
Total atom number
(Total number of atoms of the natural product)
H bond acceptor count
(Hydrogen bond acceptor count)
H bond donor count
(Hydrogen bond donor count)
Identifiers of the natural product
INCHI identifier
(Chemical substance identifier: InChi online notation)
InChI=1S/C21H30O2/c1-5-6-7-8-16-12-19(22)21(20(23)13-16)18-11-15(4)9-10-17(18)14(2)3/h11-13,17-18,22-23H,2,5-10H2,1,3-4H3
INCHI KEY identifier
(Chemical Substance Identifier (InChi Key Online Notation))
QHMBSVQNZZTUGM-UHFFFAOYSA-N
Citation DOI
(Digital Object Identifier: Identifies the online publication where the natural product is reported)
10.17533/udea.vitae.1936
TIPTAXA
(Type of organism that produces the compound)
Plantae
TEXTTAXA
(Scientific name of the organism that produces the compound)
Cannabis sativa L
IUPAC Name
(IUPAC name of natural product)
2-(3-methyl-6-prop-1-en-2-yl-1-cyclohex-2-enyl)-5-pentylbenzene-1,3-diol
CAS Registry number
(CAS registration number: Chemical Abstracts Service identifier)
13956-29-1
Bond count
(Number of bonds in the molecule)
54
Octanol-water partition coefficient
(The octanol-water partition coefficient (ALogP) by Ghose-Crippen-Viswanadhan is calculated from a regression equation based on the hydrophobicity contribution of 120 types of atoms)
5.8465
TOPO PSA
(Descriptor de área de superficie polar topológica)
40.4600
13
C NMR spectrum
Open
13
C NMR spectrum
️
1
H NMR spectrum
Open
1
H NMR spectrum
️IR Spectrum
Open IR Spectrum
️ Mass Spectrum
Open MASS Spectrum
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