CHEBI:63702 - avermitilol

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ChEBI Name avermitilol ChEBI ID CHEBI:63702 Definition A carbotricyclic compound that consists of decahydro-1H-1H-cyclopropa[a]naphthalene bearing four methyl substituents at position 1, 1, 3a and 7 as well as a hydroxy substituent at position 4 (the (1aR,3aS,4S,7R,7aS,7bR)-diastereomer). Stars This entity has been manually annotated by the ChEBI Team. Submitter Kristian Axelsen 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 C15H26O Net Charge 0 Average Mass 222.36630 Monoisotopic Mass 222.19837 InChI InChI=1S/C15H26O/c1-9-5-6-11(16)15(4)8-7-10-13(12(9)15)14(10,2)3/h9-13,16H,5-8H2,1-4H3/t9-,10-,11+,12+,13-,15-/m1/s1 InChIKey BLGPPSRDEKNCLT-CDWXYHGHSA-N SMILES [H][C@@]12[C@H](C)CC[C@H](O)[C@@]1(C)CC[C@@H]1[C@H]2C1(C)C ChEBI Ontology Outgoing avermitilol (CHEBI:63702) is a carbotricyclic compound (CHEBI:38032) avermitilol (CHEBI:63702) is a secondary alcohol (CHEBI:35681) avermitilol (CHEBI:63702) is a sesquiterpenoid (CHEBI:26658) IUPAC Name (1aR,3aS,4S,7R,7aS,7bR)-1,1,3a,7-tetramethyldecahydro-1H-cyclopropa[a]naphthalen-4-ol Synonym Source avermitilol UniProt Registry Number Type Source 20690614 Reaxys Registry Number Reaxys Citations Types Sources 20536237 PubMed citation SUBMITTER 21322615 PubMed citation Europe PMC Last Modified 25 January 2012

General Comment 2012-01-25 Needed for the reaction: (2E,6E)-farnesyl diphosphate + H2O = avermitilol + diphosphate