CHEBI:66387 - microclavatin

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ChEBI Name microclavatin
ChEBI ID CHEBI:66387
Definition A macrocyclic diterpenoid isolated from the soft coral Sinularia microclavata and has been shown to exhibit cytotoxic activities against tumor cell lines.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C20H28O3
Net Charge 0
Average Mass 316.43450
Monoisotopic Mass 316.20384
InChI InChI=1S/C20H28O3/c1-12-6-7-14-15(19(14,3)4)11-13(2)16(21)8-9-20(5)18(23-20)17(22)10-12/h8-9,11-12,14-15,18H,6-7,10H2,1-5H3/b9-8+,13-11+/t12-,14-,15+,18-,20+/m0/s1
InChIKey XMAKUNDAGAVHGP-XWUHLNSPSA-N
SMILES [H][C@@]12O[C@]1(C)\C=C\C(=O)\C(C)=C\[C@]1([H])[C@]([H])(CC[C@H](C)CC2=O)C1(C)C
Metabolite of Species Details
Sinularia microclavata (WORMS:288550) See: PubMed
Roles Classification
Biological Role(s): coral metabolite
Any animal metabolite produced during a metabolic reaction in corals (marine invertebrates).
Application(s): antineoplastic agent
A substance that inhibits or prevents the proliferation of neoplasms.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing microclavatin (CHEBI:66387) has role antineoplastic agent (CHEBI:35610)
microclavatin (CHEBI:66387) has role coral metabolite (CHEBI:76498)
microclavatin (CHEBI:66387) is a diterpenoid (CHEBI:23849)
microclavatin (CHEBI:66387) is a enone (CHEBI:51689)
microclavatin (CHEBI:66387) is a epoxide (CHEBI:32955)
microclavatin (CHEBI:66387) is a macrocycle (CHEBI:51026)
IUPAC Name
(1R,2E,5E,7R,9R,12S,15S)-3,7,12,16,16-pentamethyl-8-oxatricyclo[13.1.0.07,9]hexadeca-2,5-diene-4,10-dione
Registry Number Type Source
15769435 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
16038555 PubMed citation Europe PMC
Last Modified
27 November 2013