Sclerotioramine
AlkaPlorer ID: AK029633
Synonym: None
IUPAC Name: [(7S)-5-chloro-3-[(1E,3E,5S)-3,5-dimethylhepta-1,3-dienyl]-6-hydroxy-7-methyl-8-oxoisoquinolin-7-yl] acetate
Structure
SMILES: CC[C@H](C)/C=C(C)/C=C/C1=CC2=C(Cl)C(=O)[C@](C)(OC(C)=O)C(=O)C2=CN1
InChI: InChI=1S/C21H24ClNO4/c1-6-12(2)9-13(3)7-8-15-10-16-17(11-23-15)19(25)21(5,27-14(4)24)20(26)18(16)22/h7-12,23H,6H2,1-5H3/b8-7+,13-9+/t12-,21+/m0/s1
InChIKey: DOUKEKLEUAGITQ-UPWXJBBJSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Penicillium citreonigrum | Penicillium | Aspergillaceae | Eurotiales | Eurotiomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 389.8790000000001
TPSA？: 72.47
MolLogP？: 3.872500000000003
Number of H-Donors: 1
Number of H-Acceptors: 5
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Candida albicans | Candida albicans | IZ | 8.0 | mm | 10.1021/np100142h |
| Candida parapsilosis | Candida parapsilosis | IZ | 7.0 | mm | 10.1021/np100142h |
| Candida tropicalis | Candida tropicalis | IZ | 8.0 | mm | 10.1021/np100142h |
| Mus musculus | HT-22 | Activity | 100.0 | % | 10.1021/acs.jnatprod.1c00298 |
| Mus musculus | HT-22 | Activity | nan | None | 10.1021/acs.jnatprod.1c00298 |
| Mus musculus | HT-22 | Inhibition | nan | % | 10.1021/acs.jnatprod.1c00298 |
| Pichia kudriavzevii | Pichia kudriavzevii | IZ | 8.0 | mm | 10.1021/np100142h |
| Staphylococcus epidermidis | Staphylococcus epidermidis | IZ | 8.0 | mm | 10.1021/np100142h |
| None | Unchecked | Inhibition | nan | % | 10.1021/acs.jnatprod.1c00298 |