Neophytadiene

Neophytadiene
Compound Structure:
Synonyms: 7,11,15-trimethyl-3-methylidenehexadec-1-ene; 2-(4,8,12-Trimethyltridecyl)buta-1,3-diene; 1-Hexadecene, 7,11,15-trimethyl-3-methylene-; 3-Methylene-7,11,15-trimethylhexadec-1-ene; 1,3-Butadiene, 2-(4,8,12-trimethyltridecyl)-; 7,11,15-Trimethyl-3-methylene
Compound ID: NMPC-1301
PubChem ID:

10446

Molecular Formula: C20H38
Canonical SMILES: CC(C)CCCC(C)CCCC(C)CCCC(=C)C=C
InChIKey: NIDGCIPAMWNKOA-UHFFFAOYSA-N
About the compound:

Neophytadiene is a diterpene that is 3-methylidenehexadec-1-ene substituted at positions 7, 11 and 15 by a methyl group. It has a role as an anti-inflammatory agent, an antimicrobial agent, a plant metabolite and an algal metabolite. It is an alkene and a diterpene.

Properties:

Chemical and Physical Properties

Property Name

Property Value

Molecular Weight

278.5 g/mol

XLogP3-AA

9.6

Hydrogen Bond Donor Count

0

Hydrogen Bond Acceptor Count

0

Rotatable Bond Count

13

Exact Mass

278.297351212 g/mol

Monoisotopic Mass

278.297351212 g/mol

Topological Polar Surface Area

0Ų

Heavy Atom Count

20

Formal Charge

0

Complexity

249

Isotope Atom Count

0

Defined Atom Stereocenter Count

0

Undefined Atom Stereocenter Count

2

Defined Bond Stereocenter Count

0

Undefined Bond Stereocenter Count

0

Covalently-Bonded Unit Count

1

Compound Is Canonicalized

Yes

Source: PubChem            

Source Species: Macaranga barteri
Phaseolus vulgaris
Phyllanthus muellerianus
Vitex doniana
Tithonia rotundifolia
Pteris togoensis
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