Sporidesmin E
AlkaPlorer ID: AK076401
Synonym: None
IUPAC Name: (1R,2S,3S,11R,14R)-6-chloro-2,3-dihydroxy-7,8-dimethoxy-10,14,19-trimethyl-15,16,17-trithia-10,12,19-triazapentacyclo[12.3.2.01,12.03,11.04,9]nonadeca-4,6,8-triene-13,18-dione
Structure
SMILES: COC1=C(OC)C2=C(C=C1Cl)[C@]1(O)[C@H](N2C)N2C(=O)[C@@]3(C)SSS[C@@]2(C(=O)N3C)[C@H]1O
InChI: InChI=1S/C18H20ClN3O6S3/c1-16-14(24)22-13-17(26,12(23)18(22,30-31-29-16)15(25)21(16)3)7-6-8(19)10(27-4)11(28-5)9(7)20(13)2/h6,12-13,23,26H,1-5H3/t12-,13+,16+,17+,18+/m0/s1
InChIKey: NAEONKBZNXPTMI-NYMASUJMSA-N
Reference
A new toxic metabolite of Pithomyces chartarum related to the sporidesmins
PubChem CID: 76970286
LOTUS: LTS0258741
SuperNatural Ⅲ: SN0240014-03
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Pithomyces chartarum | Pithomyces | Astrosphaeriellaceae | Pleosporales | Dothideomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 506.0270000000002
TPSA？: 102.78
MolLogP？: 1.4514999999999991
Number of H-Donors: 2
Number of H-Acceptors: 10
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|