garcinal

Compound Structure:

Synonyms:

|(2E,6E,10E)-13-(6-hydroxy-2,8-dimethyl-3,4-dihydrochromen-2-yl)-2,6,10-trimethyltrideca-2,6,10-trienal; Garcinal|

Compound ID:

NMPC-1069

PubChem ID:

Molecular Formula:

C27H38O3

Canonical SMILES:

CC1=CC(=CC2=C1OC(CC2)(C)CCC=C(C)CCC=C(C)CCC=C(C)C=O)O

InChIKey:

OKDOOPKXOAEBFT-JASPXPHPSA-N

About the compound:

Properties:

Computed Properties

Property Name	Property Value
Molecular Weight	410.6 g/mol
XLogP3-AA	7.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	10
Exact Mass	410.28209507 g/mol
Monoisotopic Mass	410.28209507 g/mol
Topological Polar Surface Area	46.5Å²
Heavy Atom Count	30
Formal Charge	0
Complexity	645
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	3
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Source: PubChem

Source Species:

Garcinia kola

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