Summary

IMPPAT Phytochemical identifier: IMPHY015680

Phytochemical name: Eupatoriochromene

Synonymous chemical names:
eupatoriochromene

External chemical identifiers:
CID:100768, ChEMBL:CHEMBL443462, ChEBI:4936, ZINC:ZINC000000897926, FDASRS:O9Y1UY34HC, MolPort-001-742-563

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Chemical structure information

SMILES:
CC(=O)c1cc2C=CC(Oc2cc1O)(C)C

InChI:
InChI=1S/C13H14O3/c1-8(14)10-6-9-4-5-13(2,3)16-12(9)7-11(10)15/h4-7,15H,1-3H3

InChIKey:
SVUVYHFYZBCYRF-UHFFFAOYSA-N

DeepSMILES:
CC=O)cccC=CCOc6cc%10O)))))C)C

Functional groups:
cC(C)=O, cC=CC, cO, cOC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=Cc2ccccc2OC1

Scaffold Graph/Node level:
C1CCC2OCCCC2C1

Scaffold Graph level:
C1CCC2CCCCC2C1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Benzopyrans

ClassyFire Subclass: 1-benzopyrans

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Meroterpenoids

NP Classifier Class: Merohemiterpenoids

NP-Likeness score: 2.219

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Chemical structure download