Pyrrospirone P
AlkaPlorer ID: AK001654
Synonym: None
IUPAC Name: (1S,2R,3S,5R,7S,8S,11S,12S,14E,18R,25S,26R,29R)-18-hydroxy-29-methoxy-3,5,7,9,11,12-hexamethyl-13,24-dioxa-17-azaheptacyclo[12.10.2.220,23.115,18.02,7.08,25.011,26]nonacosa-9,14,20,22,27-pentaen-16-one
Structure
SMILES: C[C@@H]1C[C@@H]([C@H]2[C@@H]3[C@H]4[C@H]([C@@]2(C1)C)C(=C[C@]5([C@@H]4/C(=C\6/[C@H]([C@](CC7=CC=C(O3)C=C7)(NC6=O)O)OC)/O[C@H]5C)C)C)C
InChI: InChI=1S/C33H43NO5/c1-16-12-17(2)25-27-22-24(32(25,6)13-16)18(3)14-31(5)19(4)38-28(26(22)31)23-29(37-7)33(36,34-30(23)35)15-20-8-10-21(39-27)11-9-20/h8-11,14,16-17,19,22,24-27,29,36H,12-13,15H2,1-7H3,(H,34,35)/b28-23+/t16-,17+,19+,22+,24-,25+,26+,27+,29-,31-,32+,33-/m1/s1
InChIKey: UHHCXNUQJBVIFV-LRKWJJKNSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Penicillium sp. | Penicillium | Aspergillaceae | Eurotiales | Eurotiomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 533.7090000000002
TPSA？: 77.02000000000001
MolLogP？: 5.013200000000004
Number of H-Donors: 2
Number of H-Acceptors: 5
RingCount: 8
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | Leukocyte common antigen | IC50 | 190000.0 | nM | 10.1021/acs.jnatprod.2c00473 |
| Homo sapiens | NCI-H1975 | IC50 | 55000.0 | nM | 10.1021/acs.jnatprod.2c00473 |
| Homo sapiens | Protein-tyrosine phosphatase 1B | IC50 | 39000.0 | nM | 10.1021/acs.jnatprod.2c00473 |
| Homo sapiens | Protein-tyrosine phosphatase 1C | IC50 | 63000.0 | nM | 10.1021/acs.jnatprod.2c00473 |
| Homo sapiens | Receptor-type tyrosine-protein phosphatase F (LAR) | IC50 | 200000.0 | nM | 10.1021/acs.jnatprod.2c00473 |
| Homo sapiens | T-cell protein-tyrosine phosphatase | IC50 | 79000.0 | nM | 10.1021/acs.jnatprod.2c00473 |