CHEBI:525464 - cembra-2,7,11-triene-4,6-diol

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ChEBI Name cembra-2,7,11-triene-4,6-diol ChEBI ID CHEBI:525464 Definition A cembrane diterpenoid obtained from tobacco and shown to have antitumour-promoting activity. Stars This entity has been manually annotated by the ChEBI Team. Secondary ChEBI IDs CHEBI:959 Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C20H34O2 Net Charge 0 Average Mass 306.48280 Monoisotopic Mass 306.25588 InChI InChI=1S/C20H34O2/c1-15(2)18-10-9-16(3)7-6-8-17(4)13-19(21)14-20(5,22)12-11-18/h7,11-13,15,18-19,21-22H,6,8-10,14H2,1-5H3/b12-11+,16-7+,17-13+/t18-,19+,20-/m1/s1 InChIKey RIVKDDXPCFBMOV-PTDQARIVSA-N SMILES CC(C)[C@@H]1CC\C(C)=C\CC\C(C)=C\[C@H](O)C[C@](C)(O)\C=C\1 Roles Classification Application(s): antineoplastic agent A substance that inhibits or prevents the proliferation of neoplasms. View more via ChEBI Ontology ChEBI Ontology Outgoing cembra-2,7,11-triene-4,6-diol (CHEBI:525464) has role antineoplastic agent (CHEBI:35610) cembra-2,7,11-triene-4,6-diol (CHEBI:525464) is a cembrane diterpenoid (CHEBI:60687) IUPAC Name (1S,3R,4E,8E,12S,13E)-1,5,9-trimethyl-12-(propan-2-yl)cyclotetradeca-4,8,13-triene-1,3-diol Synonyms Sources (1S,2E,4S,6R,7E,11E)-2,7,11-cembratriene-4,6-diol ChEMBL 2,7,11-Cembratrien-4,6-diol KEGG COMPOUND Manual Xrefs Databases C00000316 KNApSAcK C09072 KEGG COMPOUND View more database links Registry Number Type Source 57605-80-8 CAS Registry Number ChemIDplus Citation Type Source 18177013 PubMed citation ChEMBL Last Modified 28 July 2014