CHEBI:72642 - 3-deoxycapsidiol

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ChEBI Name 3-deoxycapsidiol ChEBI ID CHEBI:72642 Definition An eremophilane sesquiterpenoid that is (+)-5-epi-aristolochene carrying an additional 1β-hydroxy substituent. Stars This entity has been manually annotated by the ChEBI Team. 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 C15H24O Net Charge 0 Average Mass 220.35050 Monoisotopic Mass 220.18272 InChI InChI=1S/C15H24O/c1-10(2)12-6-7-13-14(16)8-5-11(3)15(13,4)9-12/h7,11-12,14,16H,1,5-6,8-9H2,2-4H3/t11-,12-,14-,15-/m1/s1 InChIKey NJWPLFBOSCSZFA-QHSBEEBCSA-N SMILES C[C@@H]1CC[C@@H](O)C2=CC[C@H](C[C@]12C)C(C)=C ChEBI Ontology Outgoing 3-deoxycapsidiol (CHEBI:72642) has functional parent (+)-5-epi-aristolochene (CHEBI:23925) 3-deoxycapsidiol (CHEBI:72642) is a eremophilane sesquiterpenoid (CHEBI:36753) 3-deoxycapsidiol (CHEBI:72642) is a secondary allylic alcohol (CHEBI:134396) IUPAC Name (1R,4R,4aR,6R)-4,4a-dimethyl-6-(prop-1-en-2-yl)-1,2,3,4,4a,5,6,7-octahydronaphthalen-1-ol Synonyms Sources 1β,4βH-eremophila-9,11-diene-1-ol ChEBI 1β-hydroxy-5-epiaristolochene MetaCyc 4-epi-eremophila-9,11-dien-1β-ol ChEBI Manual Xref Database CPD-4663 MetaCyc View more database links Registry Number Type Source 9922061 Reaxys Registry Number Reaxys Citation Type Source 15497966 PubMed citation Europe PMC Last Modified 07 September 2018