None
AlkaPlorer ID: AK322948
Synonym: None
IUPAC Name: (3aR,4S,6aR,8R,9aR,9bR)-4-[(E)-but-2-en-2-yl]-3-hydroxy-2-(2-hydroxyethyliminomethyl)-3a,5,8-trimethyl-6a,7,8,9,9a,9b-hexahydro-4H-phenalen-1-one
Structure
SMILES: C/C=C(\C)[C@H]1C(C)=C[C@H]2C[C@@H](C)C[C@H]3C(=O)/C(=C\NCCO)C(=O)[C@]1(C)[C@H]23
InChI: InChI=1S/C23H33NO3/c1-6-14(3)19-15(4)11-16-9-13(2)10-17-20(16)23(19,5)22(27)18(21(17)26)12-24-7-8-25/h6,11-13,16-17,19-20,24-25H,7-10H2,1-5H3/b14-6+,18-12+/t13-,16-,17-,19+,20-,23+/m1/s1
InChIKey: KXMSGRJOTFHUTA-SWOZMIEOSA-N
Reference
NPASS: NPC479798
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|
Properties Information
Molecule Weight: 371.5210000000001
TPSA？: 66.4
MolLogP？: 3.4311000000000016
Number of H-Donors: 2
Number of H-Acceptors: 4
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Aspergillus fumigatus | Aspergillus fumigatus | Activity | nan | None | 10.1021/acs.jnatprod.7b01067 |
| Candida albicans | Candida albicans | Activity | nan | None | 10.1021/acs.jnatprod.7b01067 |
| Histoplasma capsulatum | Histoplasma capsulatum | MIC | 16.0 | ug.mL-1 | 10.1021/acs.jnatprod.7b01067 |
| Homo sapiens | Transient receptor potential cation channel subfamily M member 8 | IC50 | 61600.0 | nM | 10.1021/acs.jnatprod.7b01067 |