Summary

IMPPAT Phytochemical identifier: IMPHY000784

Phytochemical name: Chrysantherol

Synonymous chemical names:
chrysantherol

External chemical identifiers:
CID:46173954, ChEBI:81215

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Chemical structure information

SMILES:
CC(=C)C1CCC2(C3(C1OC(C3=C)CC2)O)C

InChI:
InChI=1S/C15H22O2/c1-9(2)11-5-7-14(4)8-6-12-10(3)15(14,16)13(11)17-12/h11-13,16H,1,3,5-8H2,2,4H3

InChIKey:
IMIAOSAKRWYJIZ-UHFFFAOYSA-N

DeepSMILES:
CC=C)CCCCCC6OCC5=C))CC7)))))O))C

Functional groups:
C=C(C)C, CO, COC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C=C1C2CCC3CCCC(O2)C13

Scaffold Graph/Node level:
CC1C2CCC3CCCC(O2)C31

Scaffold Graph level:
CC1C2CCC3CCCC(C2)C31

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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: Eudesmane sesquiterpenoids

NP-Likeness score: 2.533

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Chemical structure download