Penigainamide B
AlkaPlorer ID: AK328300
Synonym: None
IUPAC Name: (1R,3S,5S,8R,9S,13S,17S)-8-hydroxy-17-(2-hydroxy-3,4-dimethoxyphenyl)-14-methyl-4,10-dioxa-16-thia-11,14-diazapentacyclo[11.2.2.01,11.03,5.03,9]heptadec-6-ene-12,15-dione
Structure
SMILES: COC1=CC=C([C@@H]2S[C@@]34C[C@]56O[C@H]5C=C[C@@H](O)[C@@H]6ON3C(=O)[C@@H]2N(C)C4=O)C(O)=C1OC
InChI: InChI=1S/C21H22N2O8S/c1-22-13-16(9-4-6-11(28-2)15(29-3)14(9)25)32-21(19(22)27)8-20-12(30-20)7-5-10(24)17(20)31-23(21)18(13)26/h4-7,10,12-13,16-17,24-25H,8H2,1-3H3/t10-,12+,13-,16+,17+,20+,21-/m1/s1
InChIKey: FXSSKIYDLXEJOO-MVMWFNCZSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Penicillium steckii | Penicillium | Aspergillaceae | Eurotiales | Eurotiomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 462.48000000000025
TPSA？: 121.3
MolLogP？: 0.3350000000000001
Number of H-Donors: 2
Number of H-Acceptors: 9
RingCount: 7
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|