Summary

IMPPAT Phytochemical identifier: IMPHY010535

Phytochemical name: (7S)-4-methoxy-7-methyl-7,8-dihydrofuro[2,3-g]isochromen-5-one

Synonymous chemical names:
7,8-dihydro-4-methoxy-7-methyl-5h-furo[2,3-g]benzopyran-5-one (dihydro-coriandrin), dihydrocoriandrin

External chemical identifiers:
CID:14134312, ZINC:ZINC000013408187

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Chemical structure information

SMILES:
COc1c2C(=O)O[C@H](Cc2cc2c1cco2)C

InChI:
InChI=1S/C13H12O4/c1-7-5-8-6-10-9(3-4-16-10)12(15-2)11(8)13(14)17-7/h3-4,6-7H,5H2,1-2H3/t7-/m0/s1

InChIKey:
LJCCQQNTPLPSNX-ZETCQYMHSA-N

DeepSMILES:
COccC=O)O[C@H]Cc6ccc%10cco5))))))))C

Functional groups:
cC(=O)OC, cOC, coc

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1OCCc2cc3occc3cc21

Scaffold Graph/Node level:
OC1OCCC2CC3OCCC3CC21

Scaffold Graph level:
CC1CCCC2CC3CCCC3CC12

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Benzopyrans

ClassyFire Subclass: 2-benzopyrans

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Coumarins

NP Classifier Class: Isocoumarins

NP-Likeness score: 1.486

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Chemical structure download