5-Carboxystrictosidine
AlkaPlorer ID: AK022605
Synonym: '', '5α-carboxystrictosidine', '5alpha-Carboxystrictosidine', '5(S)-5-Carboxystrictosidine'
IUPAC Name: (1S,3S)-1-[[(2S,3S,4S)-3-ethenyl-5-methoxycarbonyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-4-yl]methyl]-2,3,4,9-tetrahydro-1H-pyrido[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]1C[C@@H]1N[C@H](C(=O)O)CC2=C1NC1=CC=CC=C21
InChI: InChI=1S/C28H34N2O11/c1-3-12-14(8-18-21-15(9-19(29-18)25(35)36)13-6-4-5-7-17(13)30-21)16(26(37)38-2)11-39-27(12)41-28-24(34)23(33)22(32)20(10-31)40-28/h3-7,11-12,14,18-20,22-24,27-34H,1,8-10H2,2H3,(H,35,36)/t12-,14-,18-,19-,20+,22+,23-,24+,27-,28-/m0/s1
InChIKey: LHKZIVMTXZLOTP-LQDMBTRHSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Uncaria tomentosa | Uncaria | Rubiaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 574.5830000000003
TPSA？: 200.03
MolLogP？: -0.1538999999999979
Number of H-Donors: 7
Number of H-Acceptors: 11
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|