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Natural product data
General information of the natural product
Name
(Common name of the natural product)
Muña, ocotea, genjibre
Molecular formula
(Molecular formula)
C10H16
Molecular weight
(Molecular weight of natural product)
Synonyms name
(Synonyms for the name of the natural product)
BETA-PINENE, Pseudopinene, 2(10)-Pinene, Nopinene
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/C10H16/c1-7-4-5-8-6-9(7)10(8,2)3/h8-9H,1,4-6H2,2-3H3
INCHI KEY identifier
(Chemical Substance Identifier (InChi Key Online Notation))
WTARULDDTDQWMU-UHFFFAOYSA-N
Citation DOI
(Digital Object Identifier: Identifies the online publication where the natural product is reported)
10.1590/S0102-695X2010000400016, 10.1590/S0102-695X2010000400016,- 10.23850/24220582.3465
TIPTAXA
(Type of organism that produces the compound)
Plantae
TEXTTAXA
(Scientific name of the organism that produces the compound)
Minthostachys mollis, Ocotea, Zingiber officinale
IUPAC Name
(IUPAC name of natural product)
6,6-dimethyl-2-methylidenebicyclo[3.1.1]heptane
CAS Registry number
(CAS registration number: Chemical Abstracts Service identifier)
127-91-3
Bond count
(Number of bonds in the molecule)
27
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)
2.9987
TOPO PSA
(Descriptor de área de superficie polar topológica)
0.0000
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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