Amidepsine I
AlkaPlorer ID: AK057264
Synonym: None
IUPAC Name: (2S)-2-[[4-[2-[(2S,3R,4S,5S,6R)-3-acetyloxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-(2-hydroxy-4-methoxy-6-methylbenzoyl)oxy-6-methylbenzoyl]oxy-2-hydroxy-6-methylbenzoyl]amino]propanoic acid
Structure
SMILES: COC1=CC(C)=C(C(=O)OC2=CC(C)=C(C(=O)OC3=CC(C)=C(C(O)=N[C@@H](C)C(=O)O)C(O)=C3)C(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3OC(C)=O)=C2)C(O)=C1
InChI: InChI=1S/C36H39NO17/c1-14-8-20(11-22(40)26(14)32(44)37-17(4)33(45)46)51-35(48)28-16(3)9-21(52-34(47)27-15(2)7-19(49-6)10-23(27)41)12-24(28)53-36-31(50-18(5)39)30(43)29(42)25(13-38)54-36/h7-12,17,25,29-31,36,38,40-43H,13H2,1-6H3,(H,37,44)(H,45,46)/t17-,25+,29+,30-,31+,36+/m0/s1
InChIKey: RBFOMTAWEHHDSX-SBCZIEDESA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Humicola sp. | Humicola | Chaetomiaceae | Sordariales | Sordariomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 757.6980000000004
TPSA？: 277.62999999999994
MolLogP？: 1.9972599999999991
Number of H-Donors: 7
Number of H-Acceptors: 16
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|