Mitrajavine; 3,20-Diepimer, O-de-Me, O-β-D-glucopyranoside
AlkaPlorer ID: AK263232
Synonym: 9-β-D-Glucopyranosyloxytetrahydroalstonine
IUPAC Name: methyl 16-methyl-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-17-oxa-3,13-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4(9),5,7,18-pentaene-19-carboxylate
Structure
SMILES: COC(=O)C1=COC(C)C2CN3CCC4=C(NC5=CC=CC(OC6OC(CO)C(O)C(O)C6O)=C45)C3CC12
InChI: InChI=1S/C27H34N2O9/c1-12-15-9-29-7-6-13-21-17(28-22(13)18(29)8-14(15)16(11-36-12)26(34)35-2)4-3-5-19(21)37-27-25(33)24(32)23(31)20(10-30)38-27/h3-5,11-12,14-15,18,20,23-25,27-28,30-33H,6-10H2,1-2H3
InChIKey: QUIFSHDKPIXVFP-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Tabernaemontana cymosa | Tabernaemontana | Apocynaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 530.5740000000001
TPSA？: 153.94
MolLogP？: 0.3575000000000004
Number of H-Donors: 5
Number of H-Acceptors: 10
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|