Penicisulfuranol A
AlkaPlorer ID: AK106414
Synonym: None
IUPAC Name: (1R,5S,6R,9R,10R,12R,15R)-9-chloro-6,10-dihydroxy-19,20-dimethoxy-23-methyl-4,22-dioxa-13,14-dithia-3,23-diazahexacyclo[10.10.2.01,15.03,12.05,10.016,21]tetracosa-7,16(21),17,19-tetraene-2,24-dione
Structure
SMILES: COC1=C(OC)C2=C(C=C1)[C@H]1SS[C@@]34C[C@]5(O)[C@H](Cl)C=C[C@@H](O)[C@@H]5ON3C(=O)[C@]1(O2)N(C)C4=O
InChI: InChI=1S/C21H21ClN2O8S2/c1-23-17(26)20-8-19(28)12(22)7-5-10(25)15(19)32-24(20)18(27)21(23)16(33-34-20)9-4-6-11(29-2)14(30-3)13(9)31-21/h4-7,10,12,15-16,25,28H,8H2,1-3H3/t10-,12-,15+,16-,19+,20-,21+/m1/s1
InChIKey: HFWZFFCNOVVKQT-OFDQUPMBSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Penicillium janthinellum | Penicillium | Aspergillaceae | Eurotiales | Eurotiomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 528.9920000000002
TPSA？: 118.0
MolLogP？: 1.1986
Number of H-Donors: 2
Number of H-Acceptors: 10
RingCount: 7
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | HCT-116 | IC50 | 330.0 | nM | 10.1016/j.bmcl.2022.129111 |
| Homo sapiens | HeLa | IC50 | 500.0 | nM | 10.1021/acs.jnatprod.6b00483 |
| Homo sapiens | HL-60 | IC50 | 100.0 | nM | 10.1021/acs.jnatprod.6b00483 |