Summary

IMPPAT Phytochemical identifier: IMPHY010658

Phytochemical name: Macrophyllin

Synonymous chemical names:
macrophyllin

Chemical structure information

SMILES:
COc1ccc(c(c1)O)Cc1c(OC)c(OC)c(c2c1OC(CC2=O)c1ccccc1)O

InChI:
InChI=1S/C25H24O7/c1-29-16-10-9-15(18(26)12-16)11-17-23-21(22(28)25(31-3)24(17)30-2)19(27)13-20(32-23)14-7-5-4-6-8-14/h4-10,12,20,26,28H,11,13H2,1-3H3

InChIKey:
NXQXXNMFWZSKBH-UHFFFAOYSA-N

DeepSMILES:
COcccccc6)O))CccOC))cOC))ccc6OCCC6=O)))cccccc6))))))))))O

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1CC(c2ccccc2)Oc2c(Cc3ccccc3)cccc21

Scaffold Graph/Node level:
OC1CC(C2CCCCC2)OC2C(CC3CCCCC3)CCCC12

Scaffold Graph level:
CC1CC(C2CCCCC2)CC2C(CC3CCCCC3)CCCC12

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Phenylpropanoids and polyketides

ClassyFire Class: Diarylheptanoids

ClassyFire Subclass: Linear diarylheptanoids

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Flavonoids

NP Classifier Class: Flavanones

NP-Likeness score: 1.262

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Chemical structure download