Summary

IMPPAT Phytochemical identifier: IMPHY001770

Phytochemical name: Aristololactam-glucoside

Synonymous chemical names:
aristolactum n-beta-glucoside

External chemical identifiers:
CID:159819

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Chemical structure information

SMILES:
OC[C@H]1O[C@@H]([C@@H]([C@H]([C@@H]1O)O)O)N1C(=O)c2c3c1cc1c(OC)cccc1c3c1c(c2)OCO1

InChI:
InChI=1S/C23H21NO9/c1-30-13-4-2-3-9-10(13)5-12-16-11(6-14-21(17(9)16)32-8-31-14)22(29)24(12)23-20(28)19(27)18(26)15(7-25)33-23/h2-6,15,18-20,23,25-28H,7-8H2,1H3/t15-,18-,19+,20-,23+/m1/s1

InChIKey:
GIDCUQKCIZAUKW-AUJACXKFSA-N

DeepSMILES:
OC[C@H]O[C@@H][C@@H][C@H][C@@H]6O))O))O))NC=O)ccc5cccOC))cccc6c%10ccc%14)OCO5

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1c2cc3c(c4c2c(cc2ccccc24)N1C1CCCCO1)OCO3

Scaffold Graph/Node level:
OC1C2CC3OCOC3C3C4CCCCC4CC(C23)N1C1CCCCO1

Scaffold Graph level:
CC1C2CC3CCCC3C3C4CCCCC4CC(C1C1CCCCC1)C23

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Alkaloids and derivatives

ClassyFire Class: Aristolactams

NP-Likeness score: 1.312

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Chemical structure download