Gymnastatin-A2
AlkaPlorer ID: AK039550
Synonym: None
IUPAC Name: (2E,4E,6R)-N-[(2S,3S)-7,9-dichloro-2-hydroxy-8-oxo-1-oxaspiro[4.5]deca-6,9-dien-3-yl]-4,6-dimethyldodeca-2,4-dienamide
Structure
SMILES: CCCCCC[C@@H](C)/C=C(C)/C=C/C(O)=N[C@H]1CC2(C=C(Cl)C(=O)C(Cl)=C2)O[C@@H]1O
InChI: InChI=1S/C23H31Cl2NO4/c1-4-5-6-7-8-15(2)11-16(3)9-10-20(27)26-19-14-23(30-22(19)29)12-17(24)21(28)18(25)13-23/h9-13,15,19,22,29H,4-8,14H2,1-3H3,(H,26,27)/b10-9+,16-11+/t15-,19+,22+/m1/s1
InChIKey: NGXMXBNROHVABT-ZHTHRGMRSA-N
Reference
Gymnastatins, novel cytotoxic metabolites produced by a fungal strain from a sponge
PubChem CID: 21672330
LOTUS: LTS0077472
SuperNatural Ⅲ: SN0245214-05
{NPAtlas: NPA013956
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Gymnascella dankaliensis | Gymnascella | Gymnoascaceae | Onygenales | Eurotiomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 456.41000000000014
TPSA？: 79.12
MolLogP？: 5.726100000000007
Number of H-Donors: 2
Number of H-Acceptors: 4
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|