Summary

IMPPAT Phytochemical identifier: IMPHY016672

Phytochemical name: Guaia-1(10),11-dien-9-one

Synonymous chemical names:
guaia-1(10),11-dien-9-one, guaia-3,9-dien-11-ol

External chemical identifiers:
CID:529455

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Chemical structure information

SMILES:
CC(C1CCC(=C)C2C(=C(C)CC2)C1=O)C

InChI:
InChI=1S/C15H22O/c1-9(2)12-7-5-10(3)13-8-6-11(4)14(13)15(12)16/h9,12-13H,3,5-8H2,1-2,4H3

InChIKey:
UYGROYIOOPLGAS-UHFFFAOYSA-N

DeepSMILES:
CCCCCC=C)CC=CC)CC5)))C7=O))))))))C

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C=C1CCCC(=O)C2=CCCC12

Scaffold Graph/Node level:
CC1CCCC(O)C2CCCC12

Scaffold Graph level:
CC1CCCC(C)C2CCCC12

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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: 1.938

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Chemical structure download