Summary

IMPPAT Phytochemical identifier: IMPHY005042

Phytochemical name: Bisacumol

Synonymous chemical names:
ar-tumerol, ar-turmerol, bisacumol

External chemical identifiers:
CID:5315469, SureChEMBL:SCHEMBL6113339

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Chemical structure information

SMILES:
CC(=CC(CC(c1ccc(cc1)C)C)O)C

InChI:
InChI=1S/C15H22O/c1-11(2)9-15(16)10-13(4)14-7-5-12(3)6-8-14/h5-9,13,15-16H,10H2,1-4H3

InChIKey:
NRBFEAZFHRHFFQ-UHFFFAOYSA-N

DeepSMILES:
CC=CCCCcccccc6))C)))))C)))O)))C

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccccc1

Scaffold Graph/Node level:
C1CCCCC1

Scaffold Graph level:
C1CCCCC1

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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: Bisabolane sesquiterpenoids

NP-Likeness score: 1.171

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Chemical structure download