Summary

IMPPAT Phytochemical identifier: IMPHY007990

Phytochemical name: Hibiscone A

Synonymous chemical names:
hibiscone a

External chemical identifiers:
CID:102239770, ZINC:ZINC000085866982

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Chemical structure information

SMILES:
CC([C@H]1CCc2c3[C@@H]1C[C@H](C)C(=O)c3oc2)C

InChI:
InChI=1S/C15H20O2/c1-8(2)11-5-4-10-7-17-15-13(10)12(11)6-9(3)14(15)16/h7-9,11-12H,4-6H2,1-3H3/t9-,11+,12+/m0/s1

InChIKey:
OXGBVJBYGGQURY-MVWJERBFSA-N

DeepSMILES:
CC[C@H]CCcc[C@@H]6C[C@H]C)C=O)c6oc9))))))))))))C

Functional groups:
cC(C)=O, coc

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1CCC2CCCc3coc1c32

Scaffold Graph/Node level:
OC1CCC2CCCC3COC1C23

Scaffold Graph level:
CC1CCC2CCCC3CCC1C23

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Benzofurans

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Sesquiterpenoids

NP Classifier Class: Cadinane sesquiterpenoids

NP-Likeness score: 1.994

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Chemical structure download