Summary

IMPPAT Phytochemical identifier: IMPHY012029

Phytochemical name: Sterol

Synonymous chemical names:
sterol

External chemical identifiers:
CID:1107, SureChEMBL:SCHEMBL4544647

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Chemical structure information

SMILES:
OC1CCC2C(C1)CCC1C2CCC2C1CCC2

InChI:
InChI=1S/C17H28O/c18-13-6-9-15-12(10-13)5-8-16-14-3-1-2-11(14)4-7-17(15)16/h11-18H,1-10H2

InChIKey:
FPXSXMFOYWRHDX-UHFFFAOYSA-N

DeepSMILES:
OCCCCCC6)CCCC6CCCC6CCC5

Functional groups:
CO

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1CCC2C(C1)CCC1C3CCCC3CCC21

Scaffold Graph/Node level:
C1CCC2C(C1)CCC1C3CCCC3CCC21

Scaffold Graph level:
C1CCC2C(C1)CCC1C3CCCC3CCC21

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Steroids and steroid derivatives

ClassyFire Subclass: Hydroxysteroids

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Steroids

NP Classifier Class: Estrane steroids

NP-Likeness score: 1.41

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Chemical structure download