7a-Hydroxy-13-desoxypaxilline
AlkaPlorer ID: AK078537
Synonym: None
IUPAC Name: (1S,2S,5S,7R,11R,14S)-5-hydroxy-7-(2-hydroxypropan-2-yl)-1,2-dimethyl-6-oxa-23-azahexacyclo[12.10.0.02,11.05,10.016,24.017,22]tetracosa-9,16(24),17,19,21-pentaen-8-one
Structure
SMILES: CC(C)(O)[C@H]1O[C@@]2(O)CC[C@@]3(C)[C@@H](CC[C@H]4CC5=C(NC6=CC=CC=C56)[C@@]43C)C2=CC1=O
InChI: InChI=1S/C27H33NO4/c1-24(2,30)23-21(29)14-19-18-10-9-15-13-17-16-7-5-6-8-20(16)28-22(17)26(15,4)25(18,3)11-12-27(19,31)32-23/h5-8,14-15,18,23,28,30-31H,9-13H2,1-4H3/t15-,18-,23-,25-,26+,27-/m0/s1
InChIKey: JFVYPWSFDLYZKB-XTHGXZEWSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Penicillium paxilli | Penicillium | Aspergillaceae | Eurotiales | Eurotiomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 435.56400000000014
TPSA？: 82.54999999999998
MolLogP？: 4.161800000000003
Number of H-Donors: 3
Number of H-Acceptors: 4
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | A2780 | IC50 | nan | None | 10.1021/acs.jnatprod.8b00723 |
| Homo sapiens | HEK293 | IC50 | 39800.0 | nM | 10.1021/acs.jnatprod.8b00723 |
| Homo sapiens | J82 | IC50 | nan | None | 10.1021/acs.jnatprod.8b00723 |
| Mus musculus | L5178Y | IC50 | 6200.0 | nM | 10.1021/acs.jnatprod.8b00723 |