None
AlkaPlorer ID: AK322945
Synonym: None
IUPAC Name: (1R,2R,3S,3aR,8bS)-6-[[(2S,6R)-6-[(1S)-1,2-dihydroxyethyl]-3-hydroxy-1,4-dioxan-2-yl]oxy]-1,8b-dihydroxy-8-methoxy-3a-(4-methoxyphenyl)-3-phenyl-2,3-dihydro-1H-cyclopenta[b][1]benzofuran-2-carboxamide
Structure
SMILES: COC1=CC=C([C@@]23OC4=CC(O[C@@H]5O[C@@H]([C@@H](O)CO)COC5O)=CC(OC)=C4[C@]2(O)[C@H](O)[C@H](C(=N)O)[C@H]3C2=CC=CC=C2)C=C1
InChI: InChI=1S/C32H35NO12/c1-40-18-10-8-17(9-11-18)32-25(16-6-4-3-5-7-16)24(28(33)37)27(36)31(32,39)26-21(41-2)12-19(13-22(26)45-32)43-30-29(38)42-15-23(44-30)20(35)14-34/h3-13,20,23-25,27,29-30,34-36,38-39H,14-15H2,1-2H3,(H2,33,37)/t20-,23+,24+,25+,27+,29?,30+,31-,32-/m0/s1
InChIKey: CKASMQLWVJIOCH-LTDRMUKUSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Aglaia perviridis | Aglaia | Meliaceae | Sapindales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 625.6270000000003
TPSA？: 200.61
MolLogP？: 1.2809699999999995
Number of H-Donors: 7
Number of H-Acceptors: 12
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | HT-29 | IC50 | 2300.0 | nM | 10.1021/acs.jnatprod.9b00631 |
| Homo sapiens | PC-3 | IC50 | 2300.0 | nM | 10.1021/acs.jnatprod.9b00631 |