Summary

IMPPAT Phytochemical identifier: IMPHY005239

Phytochemical name: Artonin H

Synonymous chemical names:
artonin h

External chemical identifiers:
CID:21595104, ZINC:ZINC000003783398

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Chemical structure information

SMILES:
C/C(=CCc1c(oc2c(c1=O)c(O)c(c(c2)O)CC=C(C)C)c1cc(O)c(cc1O)O)/CCC=C(C)C

InChI:
InChI=1S/C30H34O7/c1-16(2)7-6-8-18(5)10-12-20-29(36)27-26(15-23(32)19(28(27)35)11-9-17(3)4)37-30(20)21-13-24(33)25(34)14-22(21)31/h7,9-10,13-15,31-35H,6,8,11-12H2,1-5H3/b18-10+

InChIKey:
UFYZFUATQKAITD-VCHYOVAHSA-N

DeepSMILES:
C/C=CCccoccc6=O))cO)ccc6)O))CC=CC)C)))))))))cccO)ccc6O)))O)))))))))/CCC=CC)C

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=c1cc(-c2ccccc2)oc2ccccc12

Scaffold Graph/Node level:
OC1CC(C2CCCCC2)OC2CCCCC12

Scaffold Graph level:
CC1CC(C2CCCCC2)CC2CCCCC12

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Phenylpropanoids and polyketides

ClassyFire Class: Flavonoids

ClassyFire Subclass: Flavones

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Flavonoids

NP Classifier Class: Flavones

NP-Likeness score: 1.994

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Chemical structure download