Summary

IMPPAT Phytochemical identifier: IMPHY013123

Phytochemical name: Lanostan-3beta-ol

Synonymous chemical names:
lanostan-3beta-ol

External chemical identifiers:
CID:13870589, ZINC:ZINC000034173090

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Chemical structure information

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

InChI:
InChI=1S/C30H54O/c1-20(2)10-9-11-21(3)22-14-18-30(8)24-12-13-25-27(4,5)26(31)16-17-28(25,6)23(24)15-19-29(22,30)7/h20-26,31H,9-19H2,1-8H3/t21-,22-,23+,24-,25+,26+,28-,29-,30+/m1/s1

InChIKey:
FPTJELQXIUUCEY-TXVFMQMGSA-N

DeepSMILES:
CCCCC[C@H][C@H]CC[C@@][C@]5C)CC[C@H][C@H]6CC[C@@H][C@]6C)CC[C@@H]C6C)C))O)))))))))))))C)))))C)))))C

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: Prenol lipids

ClassyFire Subclass: Triterpenoids

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Triterpenoids

NP Classifier Class: Cycloartane triterpenoids, Lanostane, Tirucallane and Euphane triterpenoids

NP-Likeness score: 2.598

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Chemical structure download