Penigainamide A
AlkaPlorer ID: AK328299
Synonym: None
IUPAC Name: (1R,3R,4R,7R,8S,12S,13S)-4-chloro-3,7-dihydroxy-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([C@@H]2SSS[C@@]34C[C@]5(O)[C@H](Cl)C=C[C@@H](O)[C@@H]5ON3C(=O)[C@@H]2N(C)C4=O)C(O)=C1OC
InChI: InChI=1S/C21H23ClN2O8S3/c1-23-13-16(9-4-6-11(30-2)15(31-3)14(9)26)33-35-34-21(19(23)28)8-20(29)12(22)7-5-10(25)17(20)32-24(21)18(13)27/h4-7,10,12-13,16-17,25-26,29H,8H2,1-3H3/t10-,12-,13-,16+,17+,20+,21-/m1/s1
InChIKey: UHBSCIRBTYMXQF-FEHKQZEWSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Penicillium steckii | Penicillium | Aspergillaceae | Eurotiales | Eurotiomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 563.0750000000002
TPSA？: 129.0
MolLogP？: 1.8323000000000005
Number of H-Donors: 3
Number of H-Acceptors: 11
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|