Alstrostine B
AlkaPlorer ID: AK284028
Synonym: None
IUPAC Name: methyl 3-ethenyl-4-[[13-(3-formyl-5-methoxycarbonyl-2-methyl-3,4-dihydro-2H-pyran-4-yl)-8-hydroxy-1,11-diazatetracyclo[6.6.1.02,7.011,15]pentadeca-2,4,6,13-tetraen-12-yl]methyl]-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-5-carboxylate
Structure
SMILES: C=CC1C(OC2OC(CO)C(O)C(O)C2O)OC=C(C(=O)OC)C1CC1C(C2C(C(=O)OC)=COC(C)C2C=O)=CN2C3=CC=CC=C3C3(O)CCN1C23
InChI: InChI=1S/C38H46N2O14/c1-5-19-20(23(33(46)49-3)16-52-35(19)54-36-32(45)31(44)30(43)28(15-42)53-36)12-27-21(29-22(14-41)18(2)51-17-24(29)34(47)50-4)13-40-26-9-7-6-8-25(26)38(48)10-11-39(27)37(38)40/h5-9,13-14,16-20,22,27-32,35-37,42-45,48H,1,10-12,15H2,2-4H3
InChIKey: GTOYZZXSWUYNTD-UHFFFAOYSA-N
Reference
CAS: 1312689-46-5
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Alstonia rostrata | Alstonia | Apocynaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 754.7860000000002
TPSA？: 214.22
MolLogP？: -0.0627999999999957
Number of H-Donors: 5
Number of H-Acceptors: 16
RingCount: 7
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|