Summary

IMPPAT Phytochemical identifier: IMPHY003217

Phytochemical name: Artocarpin dimethyl ether

Synonymous chemical names:
artocarpin dimethyl ether

External chemical identifiers:
CID:24850643, ZINC:ZINC000142647287

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Chemical structure information

SMILES:
COc1cc2oc(c3ccc(cc3OC)OC)c(c(=O)c2c(c1/C=C/C(C)C)O)CC=C(C)C

InChI:
InChI=1S/C28H32O6/c1-16(2)8-11-19-23(33-7)15-24-25(26(19)29)27(30)21(12-9-17(3)4)28(34-24)20-13-10-18(31-5)14-22(20)32-6/h8-11,13-16,29H,12H2,1-7H3/b11-8+

InChIKey:
FLXAQKUNYPFZHL-DHZHZOJOSA-N

DeepSMILES:
COcccoccccccc6OC))))OC))))))cc=O)c6cc%10/C=C/CC)C)))))O))))CC=CC)C

Functional groups:
CC=C(C)C, c/C=C/C, c=O, cO, cOC, 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: 1.597

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Chemical structure download