Summary

IMPPAT Phytochemical identifier: IMPHY013386

Phytochemical name: Dichotosinin

Synonymous chemical names:
dichotosinin

External chemical identifiers:
CID:44257199

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Chemical structure information

SMILES:
OCC1O[C@@H](Oc2cc(OC)cc3c2CCC(O3)c2ccc(c(c2)OC)OC)C([C@H]([C@@H]1O)O)O

InChI:
InChI=1S/C24H30O10/c1-29-13-9-17-14(5-7-15(32-17)12-4-6-16(30-2)19(8-12)31-3)18(10-13)33-24-23(28)22(27)21(26)20(11-25)34-24/h4,6,8-10,15,20-28H,5,7,11H2,1-3H3/t15?,20?,21-,22+,23?,24-/m1/s1

InChIKey:
UQVHQQQKJXHPAP-ZHHHSVGMSA-N

DeepSMILES:
OCCO[C@@H]OcccOC))ccc6CCCO6)cccccc6)OC)))OC))))))))))))))))C[C@H][C@@H]6O))O))O

Functional groups:
CO, cOC, cO[C@@H](C)OC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccc(C2CCc3c(OC4CCCCO4)cccc3O2)cc1

Scaffold Graph/Node level:
C1CCC(C2CCC3C(OC4CCCCO4)CCCC3O2)CC1

Scaffold Graph level:
C1CCC(CC2CCCC3CC(C4CCCCC4)CCC23)CC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Phenylpropanoids and polyketides

ClassyFire Class: Flavonoids

ClassyFire Subclass: Flavonoid glycosides

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Flavonoids

NP Classifier Class: Flavans

NP-Likeness score: 1.558

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Chemical structure download