Paratunamide B
AlkaPlorer ID: AK031836
Synonym: None
IUPAC Name: (3S,4R,4aS)-4-ethenyl-7-[2-[(3S)-3-hydroxy-2-oxo-1H-indol-3-yl]ethyl]-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4,4a,5-tetrahydropyrano[3,4-c]pyridine-6,8-dione
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=CC=CC=C43)C(=O)C[C@H]21
InChI: InChI=1S/C26H30N2O11/c1-2-12-13-9-18(30)28(8-7-26(36)15-5-3-4-6-16(15)27-25(26)35)22(34)14(13)11-37-23(12)39-24-21(33)20(32)19(31)17(10-29)38-24/h2-6,11-13,17,19-21,23-24,29,31-33,36H,1,7-10H2,(H,27,35)/t12-,13+,17-,19-,20+,21-,23+,24+,26+/m1/s1
InChIKey: MWJJDCGSBJVCSS-FHJAXKAASA-N
Reference
Paratunamides A−D, Oxindole Alkaloids from <i>Cinnamodendron axillare</i>
PubChem CID: 16091681
LOTUS: LTS0090643
SuperNatural Ⅲ: SN0237169-04
NPASS: NPC38823
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Cinnamodendron axillare | Cinnamodendron | Canellaceae | Canellales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 546.5290000000002
TPSA？: 195.32
MolLogP？: -1.549599999999998
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 |