Paratunamide A
AlkaPlorer ID: AK068089
Synonym: None
IUPAC Name: (3S,4R,4aS,6R)-4-ethenyl-7-[2-[(3S)-3-hydroxy-2-oxo-1H-indol-3-yl]ethyl]-6-methoxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,4a,5,6-tetrahydro-3H-pyrano[3,4-c]pyridin-8-one
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=C2C(=O)N(CC[C@@]3(O)C(O)=NC4=C3C=CC=C4)[C@H](OC)C[C@H]21
InChI: InChI=1S/C27H34N2O11/c1-3-13-14-10-19(37-2)29(9-8-27(36)16-6-4-5-7-17(16)28-26(27)35)23(34)15(14)12-38-24(13)40-25-22(33)21(32)20(31)18(11-30)39-25/h3-7,12-14,18-22,24-25,30-33,36H,1,8-11H2,2H3,(H,28,35)/t13-,14+,18-,19-,20-,21+,22-,24+,25+,27+/m1/s1
InChIKey: XEQPPTNZKGNKKE-OVINQPFISA-N
Reference
Paratunamides A−D, Oxindole Alkaloids from <i>Cinnamodendron axillare</i>
PubChem CID: 16091680
LOTUS: LTS0089782
SuperNatural Ⅲ: SN0428117-02
NPASS: NPC291759
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Cinnamodendron axillare | Cinnamodendron | Canellaceae | Canellales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 562.5720000000002
TPSA？: 190.97
MolLogP？: -0.4541999999999981
Number of H-Donors: 6
Number of H-Acceptors: 11
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | KB | IC50 | 10.0 | ug.mL-1 | 10.1021/np0602968 |