Summary

IMPPAT Phytochemical identifier: IMPHY002342

Phytochemical name: Caryophylla-3(12),6-dien-4-ol

Synonymous chemical names:
caryophylla-3(12),6-dien-4-ol

Chemical structure information

SMILES:
C/C/1=C/CC(O)C(=C)C2C(CC1)C(C2)(C)C

InChI:
InChI=1S/C15H24O/c1-10-5-7-13-12(9-15(13,3)4)11(2)14(16)8-6-10/h6,12-14,16H,2,5,7-9H2,1,3-4H3/b10-6-

InChIKey:
VMVYOFDWHSLKNP-POHAHGRESA-N

DeepSMILES:
C/C=C/CCO)C=C)CCCC9))CC4)C)C

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C=C1CCC=CCCC2CCC12

Scaffold Graph/Node level:
CC1CCCCCCC2CCC12

Scaffold Graph level:
CC1CCCCCCC2CCC12

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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: Caryophyllane sesquiterpenoids

NP-Likeness score: 3.192

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Chemical structure download