Summary

IMPPAT Phytochemical identifier: IMPHY014850

Phytochemical name: Cadin-4-en-10-ol

Synonymous chemical names:
cadin-4-en-10-ol

External chemical identifiers:
CID:519662, SureChEMBL:SCHEMBL14350495

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Chemical structure information

SMILES:
CC1=CC2C(CC1)C(C)(O)CCC2C(C)C

InChI:
InChI=1S/C15H26O/c1-10(2)12-7-8-15(4,16)14-6-5-11(3)9-13(12)14/h9-10,12-14,16H,5-8H2,1-4H3

InChIKey:
LHYHMMRYTDARSZ-UHFFFAOYSA-N

DeepSMILES:
CC=CCCCC6))CC)O)CCC6CC)C

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=CC2CCCCC2CC1

Scaffold Graph/Node level:
C1CCC2CCCCC2C1

Scaffold Graph level:
C1CCC2CCCCC2C1

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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: Cadinane sesquiterpenoids

NP-Likeness score: 3.136

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Chemical structure download