Summary

IMPPAT Phytochemical identifier: IMPHY006821

Phytochemical name: (1S,6S,8S)-1,5-dimethyl-8-propan-2-yltricyclo[4.4.0.02,7]dec-4-en-3-one

Synonymous chemical names:
mustakone

External chemical identifiers:
CID:102316377

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Chemical structure information

SMILES:
CC(C1CC[C@]2([C@H]3C1C2C(=O)C=C3C)C)C

InChI:
InChI=1S/C15H22O/c1-8(2)10-5-6-15(4)13-9(3)7-11(16)14(15)12(10)13/h7-8,10,12-14H,5-6H2,1-4H3/t10?,12?,13-,14?,15+/m1/s1

InChIKey:
CTFSUCDHRVDRKG-GLYWTINESA-N

DeepSMILES:
CCCCC[C@][C@H]C6C4C=O)C=C6C)))))))C)))))C

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1C=CC2C3CCCC2C13

Scaffold Graph/Node level:
OC1CCC2C3CCCC2C13

Scaffold Graph level:
CC1CCC2C3CCCC2C13

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Prenol lipids

ClassyFire Subclass: Sesquiterpenoids

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Sesquiterpenoids

NP Classifier Class: Copaane sesquiterpenoids

NP-Likeness score: 2.913

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Chemical structure download