Pretrichodermamide A; 1-Deoxy, 1R-chloro
AlkaPlorer ID: AK311091
Synonym: Pretrichodermamide B, Antibiotic DC 1149B, DC 1149B
IUPAC Name: 4-chloro-3,7-dihydroxy-13-(2-hydroxy-3,4-dimethoxyphenyl)-9-oxa-14,15-dithia-10,17-diazatetracyclo[10.3.2.01,10.03,8]heptadec-5-ene-11,16-dione
Structure
SMILES: COC1=CC=C(C2SSC34CC5(O)C(Cl)C=CC(O)C5ON3C(=O)C2N=C4O)C(O)=C1OC
InChI: InChI=1S/C20H21ClN2O8S2/c1-29-10-5-3-8(13(25)14(10)30-2)15-12-17(26)23-20(33-32-15,18(27)22-12)7-19(28)11(21)6-4-9(24)16(19)31-23/h3-6,9,11-12,15-16,24-25,28H,7H2,1-2H3,(H,22,27)
InChIKey: CGVGJKPWGRDNTB-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Trichoderma cf. brevicompactum TPU199 | Trichoderma | Hypocreaceae | Hypocreales | Sordariomycetes | Ascomycota | Fungi | Eukaryota |
| Trichoderma longibrachiatum | Trichoderma | Hypocreaceae | Hypocreales | Sordariomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 516.9810000000002
TPSA？: 141.28
MolLogP？: 1.6821999999999997
Number of H-Donors: 4
Number of H-Acceptors: 10
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|