Dankastatin B
AlkaPlorer ID: AK007474
Synonym: None
IUPAC Name: (2E,4E,6R)-N-[(3S,4aS,8R,8aR)-6,8-dichloro-4a-hydroxy-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]1CO[C@H]2[C@@H](Cl)C(=O)C(Cl)=C[C@@]2(O)C1
InChI: InChI=1S/C23H33Cl2NO4/c1-4-5-6-7-8-15(2)11-16(3)9-10-19(27)26-17-12-23(29)13-18(24)21(28)20(25)22(23)30-14-17/h9-11,13,15,17,20,22,29H,4-8,12,14H2,1-3H3,(H,26,27)/b10-9+,16-11+/t15-,17+,20+,22+,23+/m1/s1
InChIKey: FOYHOCBUHQKEDQ-HUWMOLIRSA-N
Reference
PubChem CID: 24854522
LOTUS: LTS0106745
SuperNatural Ⅲ: SN0091573-01
NPASS: NPC16709
{NPAtlas: NPA001267
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: 458.42600000000016
TPSA？: 75.63
MolLogP？: 4.413000000000005
Number of H-Donors: 2
Number of H-Acceptors: 4
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Mus musculus | P388 | ED50 | 0.16 | ug ml-1 | 10.1021/np070529a |