Summary

IMPPAT Phytochemical identifier: IMPHY016900

Phytochemical name: beta-Cadinol

Synonymous chemical names:
β-cadinol

External chemical identifiers:
CID:12302231

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Chemical structure information

SMILES:
CC1=CCC2C(C1)C(CCC2(C)O)C(C)C

InChI:
InChI=1S/C15H26O/c1-10(2)12-7-8-15(4,16)14-6-5-11(3)9-13(12)14/h5,10,12-14,16H,6-9H2,1-4H3

InChIKey:
INTCVZZCTDGTCB-UHFFFAOYSA-N

DeepSMILES:
CC=CCCCC6)CCCC6C)O))))CC)C

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=CCC2CCCCC2C1

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: 2.757

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Chemical structure download