Summary

IMPPAT Phytochemical identifier: IMPHY003396

Phytochemical name: Tovophyllin A

Synonymous chemical names:
tovophyllin a

External chemical identifiers:
CID:42645954, ChEMBL:CHEMBL479795, ZINC:ZINC000014768735, SureChEMBL:SCHEMBL13795114

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Chemical structure information

SMILES:
CC(=CCc1c(O)cc2c(c1O)c(=O)c1c(o2)c(CC=C(C)C)c(c2c1C=CC(O2)(C)C)O)C

InChI:
InChI=1S/C28H30O6/c1-14(2)7-9-16-19(29)13-20-22(23(16)30)25(32)21-17-11-12-28(5,6)34-27(17)24(31)18(26(21)33-20)10-8-15(3)4/h7-8,11-13,29-31H,9-10H2,1-6H3

InChIKey:
ADFJMFQSYNRLEH-UHFFFAOYSA-N

DeepSMILES:
CC=CCccO)cccc6O))c=O)cco6)cCC=CC)C))))ccc6C=CCO6)C)C))))))O)))))))))))))C

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=c1c2ccccc2oc2ccc3c(c12)C=CCO3

Scaffold Graph/Node level:
OC1C2CCCCC2OC2CCC3OCCCC3C21

Scaffold Graph level:
CC1C2CCCCC2CC2CCC3CCCCC3C21

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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: Shikimates and Phenylpropanoids

NP Classifier Superclass: Xanthones

NP Classifier Class: Plant xanthones

NP-Likeness score: 2.483

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Chemical structure download