Herqueline
AlkaPlorer ID: AK047423
Synonym: 'Herquline A', 'Herquiline', 'Herquline'
IUPAC Name: (2S,3R,7R,8S,14S,17S)-15-methyl-1,15-diazapentacyclo[12.3.1.13,17.18,12.02,7]icos-12(20)-ene-6,9-dione
Structure
SMILES: CN1C[C@@H]2C[C@H]3CCC(=O)[C@H]4[C@H]3N2C[C@@H]1CC1=C[C@@H]4C(=O)CC1
InChI: InChI=1S/C19H26N2O2/c1-20-9-14-8-12-3-5-17(23)18-15-7-11(2-4-16(15)22)6-13(20)10-21(14)19(12)18/h7,12-15,18-19H,2-6,8-10H2,1H3/t12-,13+,14+,15-,18+,19+/m1/s1
InChIKey: UFKNDVKQCSBIQE-ODWBRZHOSA-N
Reference
Herquline, a new alkaloid produced by Penicillium herquei. Fermentation, isolation and properties.
PubChem CID: 163093770
LOTUS: LTS0115352
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Penicillium herquei | Penicillium | Aspergillaceae | Eurotiales | Eurotiomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 314.42900000000014
TPSA？: 40.620000000000005
MolLogP？: 1.6477999999999997
Number of H-Donors: 0
Number of H-Acceptors: 4
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|