canthin-6-one 9-O-beta-glucopyranoside
AlkaPlorer ID: AK028159
Synonym: None
IUPAC Name: 13-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-3,5(16),6,8,10,12,14-heptaen-2-one
Structure
SMILES: O=C1C=CC2=C3C(=CC=N2)C2=CC=C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C=C2N13
InChI: InChI=1S/C20H18N2O7/c23-8-14-17(25)18(26)19(27)20(29-14)28-9-1-2-10-11-5-6-21-12-3-4-15(24)22(16(11)12)13(10)7-9/h1-7,14,17-20,23,25-27H,8H2/t14-,17-,18+,19-,20-/m1/s1
InChIKey: MWPUPIWCFYQPEG-LWUBGYQZSA-N
Reference
Canthin-6-one and β-carboline alkaloids from Eurycoma harmandiana
PubChem CID: 637482
LOTUS: LTS0106779
SuperNatural Ⅲ: SN0237361-01
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Eurycoma longifolia | Eurycoma | Simaroubaceae | Sapindales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 398.371
TPSA？: 133.75
MolLogP？: -0.3826000000000005
Number of H-Donors: 4
Number of H-Acceptors: 9
RingCount: 5