Summary

IMPPAT Phytochemical identifier: IMPHY002246

Phytochemical name: Dillanoside

Synonymous chemical names:
dillanoside

External chemical identifiers:
CID:101286254

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Chemical structure information

SMILES:
OC[C@H]1O[C@@H](Oc2cc(O)c3c(c2)oc2c(c3=O)c3cc(OC)ccc3cc2)[C@@H]([C@H]([C@@H]1O)O)O

InChI:
InChI=1S/C24H22O10/c1-31-11-4-2-10-3-5-15-18(13(10)6-11)21(28)19-14(26)7-12(8-16(19)33-15)32-24-23(30)22(29)20(27)17(9-25)34-24/h2-8,17,20,22-27,29-30H,9H2,1H3/t17-,20-,22+,23-,24-/m1/s1

InChIKey:
MNMKDPGRWWQDGI-CKGMVJMISA-N

DeepSMILES:
OC[C@H]O[C@@H]OcccO)ccc6)occc6=O))cccOC))ccc6cc%10)))))))))))))))))[C@@H][C@H][C@@H]6O))O))O

Functional groups:
CO, c=O, cO, cOC, cO[C@@H](C)OC, coc

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=c1c2ccc(OC3CCCCO3)cc2oc2ccc3ccccc3c12

Scaffold Graph/Node level:
OC1C2CCC(OC3CCCCO3)CC2OC2CCC3CCCCC3C21

Scaffold Graph level:
CC1C2CCC(CC3CCCCC3)CC2CC2CCC3CCCCC3C21

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Phenylpropanoids and polyketides

ClassyFire Class: Isoflavonoids

ClassyFire Subclass: Isoflav-2-enes

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Xanthones

NP Classifier Class: Plant xanthones

NP-Likeness score: 1.673

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Chemical structure download