CHEBI:66098 - isotanshinone IIB

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ChEBI Name isotanshinone IIB
ChEBI ID CHEBI:66098
Definition A diterpenoid that is 1,2,3,4-tetrahydrophenanthro[3,2-b]furan-7,11-dione substituted by a hydroxymethyl group at position 4 and methyl groups at positions 4 and 8 respectively. Isolated from Salvia miltiorrhiza, it exhibits platelet aggregation inhibitory activity.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C19H18O4
Net Charge 0
Average Mass 310.34380
Monoisotopic Mass 310.12051
InChI InChI=1S/C19H18O4/c1-10-8-23-18-14(10)16(21)12-5-6-13-11(15(12)17(18)22)4-3-7-19(13,2)9-20/h5-6,8,20H,3-4,7,9H2,1-2H3
InChIKey VIDDDTBBUDIKKK-UHFFFAOYSA-N
SMILES Cc1coc2C(=O)c3c(ccc4c3CCCC4(C)CO)C(=O)c12
Metabolite of Species Details
Salvia miltiorrhiza (NCBI:txid226208) Found in root (BTO:0001188). See: PubMed
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
Application(s): platelet aggregation inhibitor
A drug or agent which antagonizes or impairs any mechanism leading to blood platelet aggregation, whether during the phases of activation and shape change or following the dense-granule release reaction and stimulation of the prostaglandin-thromboxane system.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing isotanshinone IIB (CHEBI:66098) has role metabolite (CHEBI:25212)
isotanshinone IIB (CHEBI:66098) has role platelet aggregation inhibitor (CHEBI:50427)
isotanshinone IIB (CHEBI:66098) is a p-quinones (CHEBI:25830)
isotanshinone IIB (CHEBI:66098) is a cyclic ether (CHEBI:37407)
isotanshinone IIB (CHEBI:66098) is a diterpenoid (CHEBI:23849)
isotanshinone IIB (CHEBI:66098) is a organic heterotetracyclic compound (CHEBI:38163)
isotanshinone IIB (CHEBI:66098) is a primary alcohol (CHEBI:15734)
IUPAC Name
4-(hydroxymethyl)-4,8-dimethyl-1,2,3,4-tetrahydrophenanthro[3,2-b]furan-7,11-dione
Registry Number Type Source
109664-01-9 CAS Registry Number ChemIDplus
Citation Waiting for Citations Type Source
3655791 PubMed citation Europe PMC
Last Modified
05 June 2016