CHEBI:69562 - lobophytumin D

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ChEBI Name lobophytumin D
ChEBI ID CHEBI:69562
Definition A diterpenoid that is 1,2,3,4,4a,5,6,8a-octahydronaphthalene substituted by methyl groups at positions 4a and 8 and a 6-methylhepta-1,5-dien-2-yl group at position 2 (the 2S,4aR,8aR-stereoisomer). It has been isolated from from the Hainan soft coral Lobophytum cristatum.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information ZINC000031168439
Download Molfile XML SDF
Formula C20H32
Net Charge 0
Average Mass 272.46810
Monoisotopic Mass 272.25040
InChI InChI=1S/C20H32/c1-15(2)8-6-9-16(3)18-11-13-20(5)12-7-10-17(4)19(20)14-18/h8,10,18-19H,3,6-7,9,11-14H2,1-2,4-5H3/t18-,19-,20+/m0/s1
InChIKey MVDYCHZUKVXVBG-SLFFLAALSA-N
SMILES CC(C)=CCCC(=C)[C@H]1CC[C@@]2(C)CCC=C(C)[C@@H]2C1
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).
View more via ChEBI Ontology
ChEBI Ontology
Outgoing lobophytumin D (CHEBI:69562) has role coral metabolite (CHEBI:76498)
lobophytumin D (CHEBI:69562) is a carbobicyclic compound (CHEBI:36785)
lobophytumin D (CHEBI:69562) is a diterpenoid (CHEBI:23849)
lobophytumin D (CHEBI:69562) is a octahydronaphthalenes (CHEBI:138397)
IUPAC Name
(2S,4aR,8aR)-4a,8-dimethyl-2-(6-methylhepta-1,5-dien-2-yl)-1,2,3,4,4a,5,6,8a-octahydronaphthalene
Registry Number Type Source
21975505 Reaxys Registry Number Reaxys
Citation
Last Modified
07 September 2017