Summary

IMPPAT Phytochemical identifier: IMPHY006637

Phytochemical name: Rotundenol

Synonymous chemical names:
rotundenol

External chemical identifiers:
CID:71439359

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Chemical structure information

SMILES:
CC1CCC2C1CC1CCC2(C)C(C1=C)O

InChI:
InChI=1S/C15H24O/c1-9-4-5-13-12(9)8-11-6-7-15(13,3)14(16)10(11)2/h9,11-14,16H,2,4-8H2,1,3H3

InChIKey:
SYLZYWQELDUCLB-UHFFFAOYSA-N

DeepSMILES:
CCCCCC5CCCCC7C)CC6=C))O

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C=C1CC2CCC1CC1CCCC21

Scaffold Graph/Node level:
CC1CC2CCC1CC1CCCC21

Scaffold Graph level:
CC1CC2CCC1CC1CCCC21

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Prenol lipids

ClassyFire Subclass: Sesquiterpenoids

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Sesquiterpenoids

NP Classifier Class: Rotundane sesquiterpenoids

NP-Likeness score: 3.081

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Chemical structure download