Summary

IMPPAT Phytochemical identifier: IMPHY000893

Phytochemical name: Solavetivone

Synonymous chemical names:
6,10-dimethyl-2-(1-methylethylenyl)spiro [4.5] dec- 6-en-8-one (solavetivone), solavetivone

External chemical identifiers:
CID:442399, ChEMBL:CHEMBL465907, ChEBI:9192, FDASRS:HS8O8A7REZ, SureChEMBL:SCHEMBL707134

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Chemical structure information

SMILES:
O=C1C[C@@H](C)[C@]2(C(=C1)C)CC[C@H](C2)C(=C)C

InChI:
InChI=1S/C15H22O/c1-10(2)13-5-6-15(9-13)11(3)7-14(16)8-12(15)4/h7,12-13H,1,5-6,8-9H2,2-4H3/t12-,13-,15-/m1/s1

InChIKey:
FGCUSSRGQNHZRW-UMVBOHGHSA-N

DeepSMILES:
O=CC[C@@H]C)[C@]C=C6)C))CC[C@H]C5)C=C)C

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1C=CC2(CCCC2)CC1

Scaffold Graph/Node level:
OC1CCC2(CCCC2)CC1

Scaffold Graph level:
CC1CCC2(CCCC2)CC1

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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: Spirovetivane sesquiterpenoids

NP-Likeness score: 2.837

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Chemical structure download