3alpha(S)-strictosidine
AlkaPlorer ID: AK003916
Synonym: '', '3-alpha(S)-Strictosidine', 'Strictosidine'
IUPAC Name: methyl (2S)-3-ethenyl-4-[[(1S)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl]methyl]-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-5-carboxylate
Structure
SMILES: C=CC1C(C[C@@H]2NCCC3=C2NC2=CC=CC=C32)C(C(=O)OC)=CO[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
InChI: InChI=1S/C27H34N2O9/c1-3-13-16(10-19-21-15(8-9-28-19)14-6-4-5-7-18(14)29-21)17(25(34)35-2)12-36-26(13)38-27-24(33)23(32)22(31)20(11-30)37-27/h3-7,12-13,16,19-20,22-24,26-33H,1,8-11H2,2H3/t13?,16?,19-,20+,22+,23-,24+,26-,27-/m0/s1
InChIKey: XBAMJZTXGWPTRM-VGTIHVKGSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Chimarrhis turbinata | Chimarrhis | Rubiaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 530.5740000000004
TPSA？: 162.73000000000002
MolLogP？: 0.3928999999999998
Number of H-Donors: 6
Number of H-Acceptors: 10
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|