Deoxycordifoline
AlkaPlorer ID: AK038397
Synonym: '', 'desoxycordifoline', 'Desoxycordifoline'
IUPAC Name: 1-[[(2S,3R,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]-9H-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]1CC1=NC(C(=O)O)=CC2=C1NC1=CC=CC=C12
InChI: InChI=1S/C28H30N2O11/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/h3-7,9,11-12,14,20,22-24,27-28,30-34H,1,8,10H2,2H3,(H,35,36)/t12-,14+,20-,22-,23+,24-,27+,28+/m1/s1
InChIKey: APMZCJQXEGDAIT-HFPCJCFDSA-N
Reference
β-Carboline glucoalkaloids from Strychnos mellodora
PubChem CID: 21577866
LOTUS: LTS0010081
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Adina eurhyncha | Adina | Rubiaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 570.5510000000004
TPSA？: 200.89
MolLogP？: 0.6049000000000007
Number of H-Donors: 6
Number of H-Acceptors: 11
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|