Summary

IMPPAT Phytochemical identifier: IMPHY005377

Phytochemical name: Capsidiol

Synonymous chemical names:
capsidiol, capsidiol (sesqui-terpenoidal diol)

External chemical identifiers:
CID:161937, ChEBI:28283, FDASRS:1O869T5P54, SureChEMBL:SCHEMBL447467

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Chemical structure information

SMILES:
CC(=C)[C@@H]1CC=C2[C@@](C1)(C)[C@H](C)[C@@H](C[C@H]2O)O

InChI:
InChI=1S/C15H24O2/c1-9(2)11-5-6-12-14(17)7-13(16)10(3)15(12,4)8-11/h6,10-11,13-14,16-17H,1,5,7-8H2,2-4H3/t10-,11-,13-,14-,15-/m1/s1

InChIKey:
BXXSHQYDJWZXPB-OKNSCYNVSA-N

DeepSMILES:
CC=C)[C@@H]CC=C[C@@]C6)C)[C@H]C)[C@@H]C[C@H]6O)))O

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=C2CCCCC2CCC1

Scaffold Graph/Node level:
C1CCC2CCCCC2C1

Scaffold Graph level:
C1CCC2CCCCC2C1

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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: Eremophilane sesquiterpenoids

NP-Likeness score: 3.282

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Chemical structure download