Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID002656

Phytochemical name: Cedr-8-en-13-ol

Synonymous chemical names:
cedren-13-ol, 8-, Cedr-8-en-13-ol, 8-cedren-13-ol, cedren-13-ol-8, cedr-8-en-13-ol

External chemical identifiers:
CID:CID_519545, SureChEMBL:SCHEMBL8738320

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Chemical structure information

SMILES:
OCC1(C)C2CC3(C1CCC3C)CC=C2C

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

InChIKey:
PPTXKCYXNDLKTQ-UHFFFAOYSA-N

DeepSMILES:
OCCC)CCCC5CCC5C)))))CC=C6C

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=CC2CC3CCCC3(C1)C2

Scaffold Graph/Node level:
C1CC2CC3CCCC3(C1)C2

Scaffold Graph level:
C1CC2CC3CCCC3(C1)C2

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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: Cedrane and Isocedrane sesquiterpenoids

NP-Likeness score: 3.35

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Chemical structure download