(3R,6R,9S,14S,14aS)-14-hydroxy-3,6-dimethyl-9-{6-[(2S)-oxiran-2-yl]-6-oxohexyl}-decahydropyrrolo[1,2-a]1,4,7,10-tetraazacyclododecane-1,4,7,10-tetrone
AlkaPlorer ID: AK165112
Synonym: None
IUPAC Name: (3S,6R,9R,12S,13S)-13-hydroxy-6,9-dimethyl-3-[6-[(2S)-oxiran-2-yl]-6-oxohexyl]-1,4,7,10-tetrazabicyclo[10.3.0]pentadecane-2,5,8,11-tetrone
Structure
SMILES: C[C@H]1N=C(O)[C@@H]2[C@@H](O)CCN2C(=O)[C@H](CCCCCC(=O)[C@@H]2CO2)N=C(O)[C@@H](C)N=C1O
InChI: InChI=1S/C21H32N4O7/c1-11-18(28)22-12(2)19(29)24-13(6-4-3-5-7-14(26)16-10-32-16)21(31)25-9-8-15(27)17(25)20(30)23-11/h11-13,15-17,27H,3-10H2,1-2H3,(H,22,28)(H,23,30)(H,24,29)/t11-,12-,13+,15+,16+,17+/m1/s1
InChIKey: NZFQDHZWYOBUCF-OWCOYPGDSA-N
Reference
A New Host Specific Toxin from Helminthosporium carbonum
PubChem CID: 163069769
LOTUS: LTS0168719
SuperNatural Ⅲ: SN0259187-01
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Bipolaris zeicola | Bipolaris | Pleosporaceae | Pleosporales | Dothideomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 452.50800000000015
TPSA？: 167.91
MolLogP？: 0.8953000000000018
Number of H-Donors: 4
Number of H-Acceptors: 7
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|