Summary

IMPPAT Phytochemical identifier: IMPHY011119

Phytochemical name: Tovoxanthone

Synonymous chemical names:
tovoxanthone

External chemical identifiers:
CID:12444404, ZINC:ZINC000014768743

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Chemical structure information

SMILES:
Oc1cc2oc3cccc(c3c(=O)c2c2c1OC(C)(C)C=C2)O

InChI:
InChI=1S/C18H14O5/c1-18(2)7-6-9-14-13(8-11(20)17(9)23-18)22-12-5-3-4-10(19)15(12)16(14)21/h3-8,19-20H,1-2H3

InChIKey:
XLFLUEOTDUTLCF-UHFFFAOYSA-N

DeepSMILES:
Occcocccccc6c=O)c%10cc%14OCC)C)C=C6)))))))))O

Functional groups:
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: 2.367

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Chemical structure download