Summary

IMPPAT Phytochemical identifier: IMPHY011079

Phytochemical name: 4,8-Methanoazulen-9-ol, decahydro-2,2,4,8-tetramethyl-, stereoisomer

Synonymous chemical names:
alpha-caryophyllene alcohol, α-caryophyllene alcohol

External chemical identifiers:
CID:521185, SureChEMBL:SCHEMBL1245130

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Chemical structure information

SMILES:
OC1C2(C)CCCC1(C)C1C2CC(C1)(C)C

InChI:
InChI=1S/C15H26O/c1-13(2)8-10-11(9-13)15(4)7-5-6-14(10,3)12(15)16/h10-12,16H,5-9H2,1-4H3

InChIKey:
MJYUBUQHKCAJQR-UHFFFAOYSA-N

DeepSMILES:
OCCC)CCCC6C)CC7CCC5)C)C

Functional groups:
CO

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1CC2CC(C1)C1CCCC21

Scaffold Graph/Node level:
C1CC2CC(C1)C1CCCC21

Scaffold Graph level:
C1CC2CC(C1)C1CCCC21

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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: Humulane sesquiterpenoids

NP-Likeness score: 1.786

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Chemical structure download