Alstrostine A
AlkaPlorer ID: AK284026
Synonym: None
IUPAC Name: methyl 3-ethenyl-4-[[13-[3-ethenyl-5-methoxycarbonyl-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-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(OC3OC(CO)C(O)C(O)C3O)C2C=C)=CN2C3=CC=CC=C3C3(O)CCN1C23
InChI: InChI=1S/C44H56N2O19/c1-5-19-21(23(37(55)58-3)17-60-39(19)64-41-35(53)33(51)31(49)28(15-47)62-41)13-27-22(14-46-26-10-8-7-9-25(26)44(57)11-12-45(27)43(44)46)30-20(6-2)40(61-18-24(30)38(56)59-4)65-42-36(54)34(52)32(50)29(16-48)63-42/h5-10,14,17-21,27-36,39-43,47-54,57H,1-2,11-13,15-16H2,3-4H3
InChIKey: UXGARCYXCABPFH-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Alstonia rostrata | Alstonia | Apocynaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Chassalia curviflora | Chassalia | Rubiaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 916.9270000000002
TPSA？: 296.53
MolLogP？: -2.321599999999988
Number of H-Donors: 9
Number of H-Acceptors: 21
RingCount: 8
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|