Summary

IMPPAT Phytochemical identifier: IMPHY010046

Phytochemical name: Ageratochromene dimer

Synonymous chemical names:
6,7,6',7'-tetramethoxy-2,,2,2',2'-tetramethyl-3',4'-dehydro-3'-4s-bichroman (ageratochromene dimer)

External chemical identifiers:
CID:13915404

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Chemical structure information

SMILES:
COc1cc2C=C(C3CC(C)(C)Oc4c3cc(OC)c(c4)OC)C(Oc2cc1OC)(C)C

InChI:
InChI=1S/C26H32O6/c1-25(2)14-17(16-11-22(28-6)24(30-8)13-20(16)31-25)18-9-15-10-21(27-5)23(29-7)12-19(15)32-26(18,3)4/h9-13,17H,14H2,1-8H3

InChIKey:
IQLKFKMUIAAVNB-UHFFFAOYSA-N

DeepSMILES:
COcccC=CCCCC)C)Occ6ccOC))cc6)OC)))))))))))COc6cc%10OC))))))C)C

Functional groups:
cC=C(C)C, cOC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=C(C2CCOc3ccccc32)COc2ccccc21

Scaffold Graph/Node level:
C1CCC2OCC(C3CCOC4CCCCC43)CC2C1

Scaffold Graph level:
C1CCC2CC(C3CCCC4CCCCC43)CCC2C1

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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, Terpenoids

NP Classifier Superclass: Lignans, Meroterpenoids

NP-Likeness score: 0.918

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Chemical structure download