1-{[3-ethenyl-5-(methoxycarbonyl)-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2H-pyran-4-yl]methyl}-7-hydroxy-9H-pyrido[3,4-b]indole-3-carboxylic acid
AlkaPlorer ID: AK485156
Synonym: None
IUPAC Name: 1-[[(2R,3S,4S)-3-ethenyl-5-methoxycarbonyl-2-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-4-yl]methyl]-7-oxo-2,9-dihydropyrido[3,4-b]indole-3-carboxylic acid
Structure
SMILES: C=C[C@@H]1[C@@H](O[C@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)OC=C(C(=O)OC)[C@H]1CC1=NC(C(=O)O)=CC2=C1NC1=CC(O)=CC=C12
InChI: InChI=1S/C28H30N2O12/c1-3-12-14(7-18-21-15(8-19(29-18)25(36)37)13-5-4-11(32)6-17(13)30-21)16(26(38)39-2)10-40-27(12)42-28-24(35)23(34)22(33)20(9-31)41-28/h3-6,8,10,12,14,20,22-24,27-28,30-35H,1,7,9H2,2H3,(H,36,37)/t12-,14-,20-,22-,23+,24-,27+,28+/m0/s1
InChIKey: OZOBLKNMNKSXOS-HCBRJLMBSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Haldina cordifolia | Haldina | Rubiaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 586.5500000000004
TPSA？: 221.12
MolLogP？: 0.3105
Number of H-Donors: 7
Number of H-Acceptors: 12
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|