lobophytumin A (CHEBI:69559)

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ChEBI Name	lobophytumin A

ChEBI ID	CHEBI:69559

Definition	A diterpenoid that is cyclodeca-1,6-diene substituted by a methyl group at position 8, a methylidene group at position 4 and a 2-methyl-4-oxohept-2-en-6-yl group at position 1. It has been isolated from the Hainan soft coral Lobophytum cristatum.

Stars	This entity has been manually annotated by the ChEBI Team.

Supplier Information

Download	Molfile XML SDF

Formula

C20H30O

Net Charge

Average Mass

286.45160

Monoisotopic Mass

286.22967

InChI

InChI=1S/C20H30O/c1-15(2)13-20(21)14-18(5)19-11-9-16(3)7-6-8-17(4)10-12-19/h8-9,11,13,18-19H,3,6-7,10,12,14H2,1-2,4-5H3/b11-9+,17-8+/t18?,19-/m1/s1

InChIKey

SBHIRCGPIWGBMU-SILMOEHZSA-N

SMILES

CC(CC(=O)C=C(C)C)[C@H]1CCC(C)=CCCC(=C)\C=C\1

Metabolite of Species	Details
Lobophytum cristatum (WORMS:288778)	small frozen pieces of sample were extracted with acetone. See: PubMed

Roles Classification
Biological Role(s):	coral metabolite Any animal metabolite produced during a metabolic reaction in corals (marine invertebrates).

ChEBI Ontology
Outgoing	lobophytumin A (CHEBI:69559) has role coral metabolite (CHEBI:76498) lobophytumin A (CHEBI:69559) is a diterpenoid (CHEBI:23849) lobophytumin A (CHEBI:69559) is a enone (CHEBI:51689)

IUPAC Name

2-methyl-6-[(1R,2E,7Z)-8-methyl-4-methylidenecyclodeca-2,7-dien-1-yl]hept-2-en-4-one

Registry Number	Type	Source
21975507	Reaxys Registry Number	Reaxys

Citation	Type	Source
21954851	PubMed citation	Europe PMC

Last Modified

01 October 2014