None
AlkaPlorer ID: AK323760
Synonym: None
IUPAC Name: (1R,3S,4R,7R,8S,12S)-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(C2SSS[C@@]34C[C@]5(O)[C@H](O)C=C[C@@H](O)[C@@H]5ON3C(=O)[C@@H]2N(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/t10-,12-,13-,16?,17+,20+,21-/m1/s1
InChIKey: SFLUCAHJUSGTFH-JDAYODNMSA-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 |
|---|---|---|---|---|---|
| Botrytis cinerea | Botrytis cinerea | GI | 57.0 | % | 10.1021/np500822k |
| Botrytis cinerea | Botrytis cinerea | GI | nan | None | 10.1021/np500822k |
| Fusarium oxysporum | Fusarium oxysporum | GI | nan | None | 10.1021/np500822k |
| Verticillium dahliae | Verticillium dahliae | GI | 45.0 | % | 10.1021/np500822k |
| Verticillium dahliae | Verticillium dahliae | GI | nan | None | 10.1021/np500822k |