Summary

IMPPAT Phytochemical identifier: IMPHY013942

Phytochemical name: Torulosol

Synonymous chemical names:
torulosol

External chemical identifiers:
CID:349315, MolPort-000-124-379

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Chemical structure information

SMILES:
C=CC(CCC1C(=C)CCC2C1(C)CCCC2(C)CO)(O)C

InChI:
InChI=1S/C20H34O2/c1-6-19(4,22)13-10-16-15(2)8-9-17-18(3,14-21)11-7-12-20(16,17)5/h6,16-17,21-22H,1-2,7-14H2,3-5H3

InChIKey:
IERFAZQCIAZODG-UHFFFAOYSA-N

DeepSMILES:
C=CCCCCC=C)CCCC6C)CCCC6C)CO))))))))))))))O)C

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C=C1CCC2CCCCC2C1

Scaffold Graph/Node level:
CC1CCC2CCCCC2C1

Scaffold Graph level:
CC1CCC2CCCCC2C1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Prenol lipids

ClassyFire Subclass: Diterpenoids

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Diterpenoids

NP Classifier Class: Labdane diterpenoids

NP-Likeness score: 3.297

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Chemical structure download