Gyrophoric acid; 2,4-Di-Me ether, L-alanine amide
AlkaPlorer ID: AK299821
Synonym: Amidepsine A
IUPAC Name: 2-[[4-[4-(2,4-dimethoxy-6-methylbenzoyl)oxy-2-hydroxy-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)=NC(C)C(=O)O)C(O)=C3)C(O)=C2)C(OC)=C1
InChI: InChI=1S/C29H29NO11/c1-13-8-18(10-20(31)23(13)26(33)30-16(4)27(34)35)40-28(36)24-14(2)9-19(11-21(24)32)41-29(37)25-15(3)7-17(38-5)12-22(25)39-6/h7-12,16,31-32H,1-6H3,(H,30,33)(H,34,35)
InChIKey: XQGKRCPZJSNFEL-UHFFFAOYSA-N
Reference
PubChem CID: 10099481
CAS: 169181-28-6
LOTUS: LTS0144349
COCONUT: CNP0418526.2
{NPAtlas: NPA017173
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Humicola sp. | Humicola | Chaetomiaceae | Sordariales | Sordariomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 567.5470000000003
TPSA？: 181.41
MolLogP？: 4.256360000000003
Number of H-Donors: 4
Number of H-Acceptors: 10
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|