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CHEBI:66098 - isotanshinone IIB
| Formula | C19H18O4 |
| Net Charge | 0 |
| Average Mass | 310.349 |
| Monoisotopic Mass | 310.12051 |
| SMILES | Cc1coc2c1C(=O)c1ccc3c(c1C2=O)CCCC3(C)CO |
| 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 |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Salvia miltiorrhiza (ncbitaxon:226208) | root (BTO:0001188) | PubMed (3655791) |
| Roles Classification |
|---|
| Biological Role: | metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites. |
| Application: | 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. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 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 Numbers | Sources |
|---|---|
| CAS:109664-01-9 | ChemIDplus |
| Citations |
|---|