Summary

IMPPAT Phytochemical identifier: IMPHY002633

Phytochemical name: Lansiol

Synonymous chemical names:
lansiol

External chemical identifiers:
CID:14219463

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Chemical structure information

SMILES:
CC(C1CCC2(C1(C)CC=C1C2CCC2C1(C)CCC(C2(C)C)O)C)CC(C(C(=C)C)(C)C)C

InChI:
InChI=1S/C33H56O/c1-21(2)29(5,6)23(4)20-22(3)24-14-18-33(11)26-12-13-27-30(7,8)28(34)16-17-31(27,9)25(26)15-19-32(24,33)10/h15,22-24,26-28,34H,1,12-14,16-20H2,2-11H3

InChIKey:
CGINCLVPUDBIKV-UHFFFAOYSA-N

DeepSMILES:
CCCCCCC5C)CC=CC6CCCC6C)CCCC6C)C))O)))))))))))))C)))))CCCC=C)C))C)C))C

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=C2C3CCCCC3CCC2C2CCCC2C1

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: Ergostane steroids

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Triterpenoids

NP Classifier Class: Lanostane, Tirucallane and Euphane triterpenoids

NP-Likeness score: 3.021

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Chemical structure download