Penicisulfuranol F
AlkaPlorer ID: AK106422
Synonym: None
IUPAC Name: (2R,3R,6'aS,7'R,10'R,10'aS,11'aR)-7',10',10'a-trihydroxy-7-methoxy-2'-methyl-3,11'a-bis(methylsulfanyl)spiro[3H-1-benzofuran-2,3'-6a,7,10,11-tetrahydropyrazino[1,2-b][1,2]benzoxazine]-1',4'-dione
Structure
SMILES: COC1=CC=CC2=C1O[C@]1(C(=O)N3O[C@H]4[C@H](O)C=C[C@@H](O)[C@@]4(O)C[C@@]3(SC)C(=O)N1C)[C@@H]2SC
InChI: InChI=1S/C22H26N2O8S2/c1-23-18(27)21(34-4)10-20(29)14(26)9-8-12(25)16(20)32-24(21)19(28)22(23)17(33-3)11-6-5-7-13(30-2)15(11)31-22/h5-9,12,14,16-17,25-26,29H,10H2,1-4H3/t12-,14-,16+,17-,20+,21-,22+/m1/s1
InChIKey: BBMMLEPSNGCFAM-PQJPUEHUSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Penicillium janthinellum | Penicillium | Aspergillaceae | Eurotiales | Eurotiomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 510.59000000000026
TPSA？: 129.00000000000003
MolLogP？: 0.2744999999999991
Number of H-Donors: 3
Number of H-Acceptors: 10
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | HeLa | IC50 | 30000.0 | nM | 10.1021/acs.jnatprod.6b00483 |
| Homo sapiens | HL-60 | IC50 | 30000.0 | nM | 10.1021/acs.jnatprod.6b00483 |