Pretrichodermamide A; Trithia homologue, N-Me
AlkaPlorer ID: AK311095
Synonym: Outovirin C
IUPAC Name: 3,4,7-trihydroxy-13-(2-hydroxy-3,4-dimethoxyphenyl)-18-methyl-9-oxa-14,15,16-trithia-10,18-diazatetracyclo[10.4.2.01,10.03,8]octadec-5-ene-11,17-dione
Structure
SMILES: COC1=CC=C(C2SSSC34CC5(O)C(O)C=CC(O)C5ON3C(=O)C2N(C)C4=O)C(O)=C1OC
InChI: InChI=1S/C21H24N2O9S3/c1-22-13-16(9-4-6-11(30-2)15(31-3)14(9)26)33-35-34-21(19(22)28)8-20(29)12(25)7-5-10(24)17(20)32-23(21)18(13)27/h4-7,10,12-13,16-17,24-26,29H,8H2,1-3H3
InChIKey: SFLUCAHJUSGTFH-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Penicillium raciborskii | Penicillium | Aspergillaceae | Eurotiales | Eurotiomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 544.6290000000001
TPSA？: 149.23
MolLogP？: 0.5858000000000002
Number of H-Donors: 4
Number of H-Acceptors: 12
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|