Summary

IMPPAT Phytochemical identifier: IMPHY008423

Phytochemical name: Glutinosone

Synonymous chemical names:
glutinosone

External chemical identifiers:
CID:442371, ChEBI:5440, ZINC:ZINC000015261693

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Chemical structure information

SMILES:
CC(=C)[C@@H]1CCC2=CC(=O)[C@@H]([C@H]([C@@H]2C1)C)O

InChI:
InChI=1S/C14H20O2/c1-8(2)10-4-5-11-7-13(15)14(16)9(3)12(11)6-10/h7,9-10,12,14,16H,1,4-6H2,2-3H3/t9-,10+,12-,14+/m0/s1

InChIKey:
AUWWCTMETLOZSD-HEQLZXTPSA-N

DeepSMILES:
CC=C)[C@@H]CCC=CC=O)[C@@H][C@H][C@@H]6C%10))C))O

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1C=C2CCCCC2CC1

Scaffold Graph/Node level:
OC1CCC2CCCCC2C1

Scaffold Graph level:
CC1CCC2CCCCC2C1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organic oxygen compounds

ClassyFire Class: Organooxygen compounds

ClassyFire Subclass: Carbonyl compounds

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Sesquiterpenoids

NP Classifier Class: Noreudesmane sesquiterpenoids

NP-Likeness score: 2.821

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Chemical structure download