Sporidesmin
AlkaPlorer ID: AK314164
Synonym: Sporidesmin A
IUPAC Name: 6-chloro-2,3-dihydroxy-7,8-dimethoxy-10,14,18-trimethyl-15,16-dithia-10,12,18-triazapentacyclo[12.2.2.01,12.03,11.04,9]octadeca-4,6,8-triene-13,17-dione
Structure
SMILES: COC1=C(OC)C2=C(C=C1Cl)C1(O)C(N2C)N2C(=O)C3(C)SSC2(C(=O)N3C)C1O
InChI: InChI=1S/C18H20ClN3O6S2/c1-16-14(24)22-13-17(26,12(23)18(22,30-29-16)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
InChIKey: QTONANGUNATZOU-UHFFFAOYSA-N
Reference
PubChem CID: 317024
CAS: 1456-55-9
LOTUS: LTS0000627
NPASS: NPC32095
COCONUT: CNP0278477.4
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Pithomyces chartarum | Pithomyces | Astrosphaeriellaceae | Pleosporales | Dothideomycetes | Ascomycota | Fungi | Eukaryota |
| Angelica decursiva | Angelica | Apiaceae | Apiales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 473.9600000000002
TPSA？: 102.78
MolLogP？: 0.8032999999999997
Number of H-Donors: 2
Number of H-Acceptors: 9
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|