Summary

IMPPAT Phytochemical identifier: IMPHY016671

Phytochemical name: 2-(Diphenylphosphorothioyl)phenyl diphenylphosphinate

Synonymous chemical names:
guaia-1(10),11-dien-15-ol

External chemical identifiers:
CID:529454

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Chemical structure information

SMILES:
OCC1=C2CCC(C2CC(CC1)C(=C)C)C

InChI:
InChI=1S/C15H24O/c1-10(2)12-5-6-13(9-16)14-7-4-11(3)15(14)8-12/h11-12,15-16H,1,4-9H2,2-3H3

InChIKey:
XDJJQGUABGVLLV-UHFFFAOYSA-N

DeepSMILES:
OCC=CCCCC5CCCC%10))C=C)C)))))C

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=C2CCCC2CCCC1

Scaffold Graph/Node level:
C1CCC2CCCC2CC1

Scaffold Graph level:
C1CCC2CCCC2CC1

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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: Guaiane sesquiterpenoids

NP-Likeness score: 2.912

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Chemical structure download