Chaboside
AlkaPlorer ID: AK078821
Synonym: ''
IUPAC Name: (19S)-19-ethyl-19-hydroxy-8-methoxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaene-14,18-dione
Structure
SMILES: CC[C@@]1(O)C(=O)OCC2=C1C=C1C3=NC4=C(C=C3CN1C2=O)C(OC)=C(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C=C4
InChI: InChI=1S/C27H28N2O11/c1-3-27(36)14-7-16-19-11(8-29(16)24(34)13(14)10-38-26(27)35)6-12-15(28-19)4-5-17(23(12)37-2)39-25-22(33)21(32)20(31)18(9-30)40-25/h4-7,18,20-22,25,30-33,36H,3,8-10H2,1-2H3/t18-,20-,21+,22-,25-,27+/m1/s1
InChIKey: IKXVTCBCZXAVDP-JGPVVIQESA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Ophiorrhiza pumila | Ophiorrhiza | Rubiaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 556.5240000000003
TPSA？: 190.03
MolLogP？: -0.7331000000000003
Number of H-Donors: 5
Number of H-Acceptors: 13
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|