Summary

IMPPAT Phytochemical identifier: IMPHY000804

Phytochemical name: Artonin G

Synonymous chemical names:
artonin g

External chemical identifiers:
CID:46887714, ChEMBL:CHEMBL1097723, ZINC:ZINC000049089551

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Chemical structure information

SMILES:
CC(=CCc1c(O)cc2c(c1O)c(=O)c1c(o2)c2c(O)c(CC=C(C)C)c(c3c2c(c1)C(C)(C)O3)O)C

InChI:
InChI=1S/C30H30O7/c1-13(2)7-9-15-19(31)12-20-22(24(15)32)26(34)17-11-18-21-23(28(17)36-20)25(33)16(10-8-14(3)4)27(35)29(21)37-30(18,5)6/h7-8,11-12,31-33,35H,9-10H2,1-6H3

InChIKey:
CHTFQGYVORQVFN-UHFFFAOYSA-N

DeepSMILES:
CC=CCccO)cccc6O))c=O)cco6)ccO)cCC=CC)C))))ccc6cc%10)CC)C)O5)))))O)))))))))))))))C

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=c1c2ccccc2oc2c1cc1c3c(cccc32)OC1

Scaffold Graph/Node level:
OC1C2CCCCC2OC2C1CC1COC3CCCC2C13

Scaffold Graph level:
CC1C2CCCCC2CC2C1CC1CCC3CCCC2C31

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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: 1.964

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Chemical structure download