Summary

IMPPAT Phytochemical identifier: IMPHY007167

Phytochemical name: Solanone

Synonymous chemical names:
(+)-solanone, solanone

External chemical identifiers:
CID:6451337, FDASRS:233MY0C8V7, SureChEMBL:SCHEMBL322675

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Chemical structure information

SMILES:
CC(=O)CC[C@H](C(C)C)/C=C/C(=C)C

InChI:
InChI=1S/C13H22O/c1-10(2)6-8-13(11(3)4)9-7-12(5)14/h6,8,11,13H,1,7,9H2,2-5H3/b8-6+

InChIKey:
PQDRXUSSKFWCFA-SOFGYWHQSA-N

DeepSMILES:
CC=O)CC[C@H]CC)C))/C=C/C=C)C

Functional groups:
C=C(C)/C=C/C, CC(C)=O

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organic oxygen compounds

ClassyFire Class: Organooxygen compounds

ClassyFire Subclass: Carbonyl compounds

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Monoterpenoids

NP-Likeness score: 2.353

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Chemical structure download