Summary

IMPPAT Phytochemical identifier: IMPHY015788

Phytochemical name: 31-Norlanosterol

Synonymous chemical names:
lanosterol, 31-nor

External chemical identifiers:
CID:102179328, FDASRS:84ZJ7MQR7B

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Chemical structure information

SMILES:
CC(=CCC[C@H]([C@H]1CC[C@@]2([C@]1(C)CCC1=C2CC[C@@H]2[C@]1(C)CC[C@@H]([C@@H]2C)O)C)C)C

InChI:
InChI=1S/C29H48O/c1-19(2)9-8-10-20(3)22-13-17-29(7)25-12-11-23-21(4)26(30)15-16-27(23,5)24(25)14-18-28(22,29)6/h9,20-23,26,30H,8,10-18H2,1-7H3/t20-,21-,22-,23+,26+,27+,28-,29+/m1/s1

InChIKey:
KLZWTHGLLDRKHD-DQKXXUABSA-N

DeepSMILES:
CC=CCC[C@H][C@H]CC[C@@][C@]5C)CCC=C6CC[C@@H][C@]6C)CC[C@@H][C@@H]6C))O)))))))))))))C)))))C)))))C

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1CCC2C3=C(CCC2C1)C1CCCC1CC3

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: Cholestane steroids

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Steroids

NP Classifier Class: Cholestane steroids

NP-Likeness score: 3.387

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Chemical structure download