Roquefortine-C
AlkaPlorer ID: AK022687
Synonym: '', '58735-64-1', 'Isoroquefortine C', 'Roquefortine', 'Roquefortine C'
IUPAC Name: (1S,4Z,7S,9R)-4-(1H-imidazol-5-ylmethylidene)-9-(2-methylbut-3-en-2-yl)-2,5,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-10,12,14-triene-3,6-dione
Structure
SMILES: C=CC(C)(C)[C@@]12C[C@H]3C(O)=N/C(=C\C4=CN=CN4)C(=O)N3[C@@H]1NC1=CC=CC=C12
InChI: InChI=1S/C22H23N5O2/c1-4-21(2,3)22-10-17-18(28)25-16(9-13-11-23-12-24-13)19(29)27(17)20(22)26-15-8-6-5-7-14(15)22/h4-9,11-12,17,20,26H,1,10H2,2-3H3,(H,23,24)(H,25,28)/b16-9-/t17-,20-,22+/m0/s1
InChIKey: SPWSUFUPTSJWNG-LIMLNZRCSA-N
Reference
Isolation of biogenetically correlated four alkaloids from the cultures of Penicillium corymbiferum.
PubChem CID: 6436831
LOTUS: LTS0125192
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Hordeum vulgare | Hordeum | Poaceae | Poales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 389.4590000000001
TPSA？: 93.61
MolLogP？: 3.2234000000000016
Number of H-Donors: 3
Number of H-Acceptors: 4
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|