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callophycoic acid G

Go to external page http://purl.obolibrary.org/obo/CHEBI_65563

A monohydroxybenzoic acid that is 4-hydroxybenzoic acid substituted at position 3 by a decahydronaphthalen-1-ylmethyl group which in turn is substituted by a bromo, two methyl groups, a methylidene and a 4-methylpent-3-en-1-yl group at positions 6, 5, 8a, 2 and 5 respectively. A diterpenoid isolated from the Fijian red alga Callophycus serratus, it exhibits antibacterial, antimalarial and anticancer activities.

Term info

Label

callophycoic acid G

Synonyms
  • 3-{[(1R,4aS,5R,6R,8aS)-6-bromo-5,8a-dimethyl-2-methylidene-5-(4-methylpent-3-en-1-yl)decahydronaphthalen-1-yl]methyl}-4-hydroxybenzoic acid
database cross reference
Subsets

3_STAR

IUPAC NAME
3-{[(1R,4aS,5R,6R,8aS)-6-bromo-5,8a-dimethyl-2-methylidene-5-(4-methylpent-3-en-1-yl)decahydronaphthalen-1-yl]methyl}-4-hydroxybenzoic acid [ IUPAC ]

charge

0

formula

C27H37BrO3

has obo namespace

chebi_ontology

id

CHEBI:65563

inchi

InChI=1S/C27H37BrO3/c1-17(2)7-6-13-27(5)23-11-8-18(3)21(26(23,4)14-12-24(27)28)16-20-15-19(25(30)31)9-10-22(20)29/h7,9-10,15,21,23-24,29H,3,6,8,11-14,16H2,1-2,4-5H3,(H,30,31)/t21-,23+,24-,26+,27-/m1/s1

inchikey

QCSKWFANIUTEHG-KDIQAUPYSA-N

mass

489.48500

monoisotopicmass

488.19261

smiles

[H][C@]12CCC(=C)[C@@H](Cc3cc(ccc3O)C(O)=O)[C@]1(C)CC[C@@H](Br)[C@]2(C)CCC=C(C)C