Summary

IMPPAT Phytochemical identifier: IMPHY010822

Phytochemical name: Tanavulgarol

Synonymous chemical names:
tanavulgarol

External chemical identifiers:
CID:131752036, ChEBI:173717

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Chemical structure information

SMILES:
CC(=CC(=O)CC1(C)C2CC(C(C1C2)C)O)C

InChI:
InChI=1S/C15H24O2/c1-9(2)5-12(16)8-15(4)11-6-13(15)10(3)14(17)7-11/h5,10-11,13-14,17H,6-8H2,1-4H3

InChIKey:
TZZOUTYFTVJIFX-UHFFFAOYSA-N

DeepSMILES:
CC=CC=O)CCC)CCCCC6C6))C))O))))))))C

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1CC2CC(C1)C2

Scaffold Graph/Node level:
C1CC2CC(C1)C2

Scaffold Graph level:
C1CC2CC(C1)C2

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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: Bergamotane sesquiterpenoids

NP-Likeness score: 2.442

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Chemical structure download