Summary

IMPPAT Phytochemical identifier: IMPHY000519

Phytochemical name: (+)-Mopanol

Synonymous chemical names:
(+)-mopanol

Chemical structure information

SMILES:
Oc1ccc2c(c1)O[C@H]1[C@H]([C@@H]2O)OCc2c1ccc(c2O)O

InChI:
InChI=1S/C16H14O6/c17-7-1-2-9-12(5-7)22-15-8-3-4-11(18)13(19)10(8)6-21-16(15)14(9)20/h1-5,14-20H,6H2/t14-,15-,16+/m1/s1

InChIKey:
AQPFFYOIRKEBDI-OAGGEKHMSA-N

DeepSMILES:
Occcccc6)O[C@H][C@H][C@@H]6O))OCcc6cccc6O))O

Functional groups:
CO, COC, cO, cOC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccc2c(c1)CC1OCc3ccccc3C1O2

Scaffold Graph/Node level:
C1CCC2OC3C(CC2C1)OCC1CCCCC13

Scaffold Graph level:
C1CCC2CC3C(CCC4CCCCC43)CC2C1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Phenylpropanoids and polyketides

ClassyFire Class: Flavonoids

ClassyFire Subclass: Pyranoflavonoids

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Flavonoids

NP Classifier Class: Flavandiols (Leucoanthocyanidins)

NP-Likeness score: 2.284

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Chemical structure download