Dankastatin A
AlkaPlorer ID: AK003587
Synonym: None
IUPAC Name: (2E,4E,6R)-N-[(2S,3S,4aR,8S,8aS)-6,8-dichloro-4a-hydroxy-2-methoxy-7-oxo-3,4,8,8a-tetrahydro-2H-chromen-3-yl]-4,6-dimethyldodeca-2,4-dienamide
Structure
SMILES: CCCCCC[C@@H](C)/C=C(C)/C=C/C(=O)N[C@H]1C[C@@]2(O)C=C(Cl)C(=O)[C@@H](Cl)[C@H]2O[C@@H]1OC
InChI: InChI=1S/C24H35Cl2NO5/c1-5-6-7-8-9-15(2)12-16(3)10-11-19(28)27-18-14-24(30)13-17(25)21(29)20(26)22(24)32-23(18)31-4/h10-13,15,18,20,22-23,30H,5-9,14H2,1-4H3,(H,27,28)/b11-10+,16-12+/t15-,18+,20-,22-,23+,24+/m1/s1
InChIKey: BZCAAMLTKGWGQU-NVMAJLLBSA-N
Reference
PubChem CID: 24854521
LOTUS: LTS0058501
SuperNatural Ⅲ: SN0039398-01
NPASS: NPC78189
{NPAtlas: NPA014605
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Gymnascella dankaliensis | Gymnascella | Gymnoascaceae | Onygenales | Eurotiomycetes | Ascomycota | Fungi | Eukaryota |
| Gymnascella sp. | Gymnascella | Gymnoascaceae | Onygenales | Eurotiomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 488.45200000000017
TPSA？: 84.86000000000001
MolLogP？: 4.385500000000003
Number of H-Donors: 2
Number of H-Acceptors: 5
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Mus musculus | P388 | ED50 | 0.15 | ug ml-1 | 10.1021/np070529a |