Summary

IMPPAT Phytochemical identifier: IMPHY009776

Phytochemical name: Spiro(7H-indeno(4,5-d)-1,3-dioxole-7,1'(2'H)-isoquinolin)-8(6H)-one,7'-(beta-D-glucopyranosyloxy)-3',4'-dihydro-6'-methoxy-2'-methyl-, (2'S)-

Synonymous chemical names:
parviflorine

External chemical identifiers:
CID:156800, ZINC:ZINC000140375645

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Chemical structure information

SMILES:
OC[C@H]1O[C@@H](Oc2cc3c(cc2OC)CCN([C@]23Cc3c(C2=O)c2OCOc2cc3)C)[C@@H]([C@H]([C@@H]1O)O)O

InChI:
InChI=1S/C26H29NO10/c1-27-6-5-12-7-16(33-2)17(36-25-22(31)21(30)20(29)18(10-28)37-25)8-14(12)26(27)9-13-3-4-15-23(35-11-34-15)19(13)24(26)32/h3-4,7-8,18,20-22,25,28-31H,5-6,9-11H2,1-2H3/t18-,20-,21+,22-,25-,26+/m1/s1

InChIKey:
IFLZXNCKAOBSFX-HNYHEDDASA-N

DeepSMILES:
OC[C@H]O[C@@H]Occcccc6OC))))CCN[C@@]6CccC5=O))cOCOc5cc9)))))))))))C)))))))))[C@@H][C@H][C@@H]6O))O))O

Functional groups:
CN(C)C, CO, c1cOCO1, cC(C)=O, cOC, cO[C@@H](C)OC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1c2c(ccc3c2OCO3)CC12NCCc1ccc(OC3CCCCO3)cc12

Scaffold Graph/Node level:
OC1C2C(CCC3OCOC32)CC12NCCC1CCC(OC3CCCCO3)CC12

Scaffold Graph level:
CC1C2C(CCC3CCCC32)CC12CCCC1CCC(CC3CCCCC3)CC12

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organic oxygen compounds

ClassyFire Class: Organooxygen compounds

ClassyFire Subclass: Carbohydrates and carbohydrate conjugates

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Tyrosine alkaloids

NP Classifier Class: Aporphine alkaloids

NP-Likeness score: 1.981

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Chemical structure download