Aristolactam I; O-De-Me, N-β-D-glucopyranosyl
AlkaPlorer ID: AK289265
Synonym: Aristolactam Ia N-β-D-glucoside
IUPAC Name: 14-hydroxy-10-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-3,5-dioxa-10-azapentacyclo[9.7.1.02,6.08,19.013,18]nonadeca-1(18),2(6),7,11(19),12,14,16-heptaen-9-one
Structure
SMILES: O=C1C2=C3C(=CC4=C(O)C=CC=C4C3=C3OCOC3=C2)N1C1OC(CO)C(O)C(O)C1O
InChI: InChI=1S/C22H19NO9/c24-6-14-17(26)18(27)19(28)22(32-14)23-11-4-9-8(2-1-3-12(9)25)16-15(11)10(21(23)29)5-13-20(16)31-7-30-13/h1-5,14,17-19,22,24-28H,6-7H2
InChIKey: NBGDFNYQBMENCR-UHFFFAOYSA-N
Reference
The alkaloids and other constituents from the root and stem of Aristolochia elegans
PubChem CID: 162999108
CAS: 213530-43-9
LOTUS: LTS0001013
COCONUT: CNP0272719.1
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Aristolochia foveolata | Aristolochia | Aristolochiaceae | Piperales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 441.39200000000005
TPSA？: 149.15
MolLogP？: 0.1873999999999996
Number of H-Donors: 5
Number of H-Acceptors: 9
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|