Summary

IMPPAT Phytochemical identifier: IMPHY012136

Phytochemical name: Precocene II

Synonymous chemical names:
ageratochromene, ageratochromene (precocene ii), ageratochromene(precocene ii), precocene ii, precocene-ii

External chemical identifiers:
CID:12565, ChEMBL:CHEMBL448964, ChEBI:35606, ZINC:ZINC000000056510, FDASRS:1W2R4TRY5H, SureChEMBL:SCHEMBL119925, MolPort-002-508-916

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Chemical structure information

SMILES:
COc1cc2OC(C)(C)C=Cc2cc1OC

InChI:
InChI=1S/C13H16O3/c1-13(2)6-5-9-7-11(14-3)12(15-4)8-10(9)16-13/h5-8H,1-4H3

InChIKey:
PTIDGSWTMLSGAH-UHFFFAOYSA-N

DeepSMILES:
COcccOCC)C)C=Cc6cc%10OC

Functional groups:
cC=CC, 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: 1.918

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Chemical structure download