Summary

IMPPAT Phytochemical identifier: IMPHY017940

Phytochemical name: Ledene alcohol

Synonymous chemical names:
ledene alcohol

Chemical structure information

SMILES:
CC1CC=C2C1C1C(C1(C)C)CCC2(C)O

InChI:
InChI=1S/C15H24O/c1-9-5-6-10-12(9)13-11(14(13,2)3)7-8-15(10,4)16/h6,9,11-13,16H,5,7-8H2,1-4H3

InChIKey:
RMMXVRYYNCFLLS-UHFFFAOYSA-N

DeepSMILES:
CCCC=CC5CCC3C)C))CCC7C)O

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=C2CCCC3CC3C2CC1

Scaffold Graph/Node level:
C1CC2CCCC2C2CC2C1

Scaffold Graph level:
C1CC2CCCC2C2CC2C1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organic oxygen compounds

ClassyFire Class: Organooxygen compounds

ClassyFire Subclass: Alcohols and polyols

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Sesquiterpenoids

NP Classifier Class: Aromadendrane sesquiterpenoids

NP-Likeness score: 3.037

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Chemical structure download