Gunnilactam A
AlkaPlorer ID: AK108365
Synonym: None
IUPAC Name: (1R,2S,5E,7S,10S,13S,17S)-1,7-dihydroxy-2,10,17-trimethyl-3,11,16,20-tetrazatricyclo[11.7.1.014,19]henicosa-5,14(19)-diene-4,12,15-trione
Structure
SMILES: C[C@@H]1N=C(O)/C=C/[C@@H](O)CC[C@H](C)N=C(O)[C@H]2C[C@]1(O)NC1=C2C(O)=N[C@@H](C)C1
InChI: InChI=1S/C20H30N4O5/c1-10-4-5-13(25)6-7-16(26)23-12(3)20(29)9-14(18(27)21-10)17-15(24-20)8-11(2)22-19(17)28/h6-7,10-14,24-25,29H,4-5,8-9H2,1-3H3,(H,21,27)(H,22,28)(H,23,26)/b7-6+/t10-,11-,12-,13-,14-,20+/m0/s1
InChIKey: USZPQXPTZZQXAO-LOJNFMIOSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Paecilomyces | Thermoascaceae | Eurotiales | Eurotiomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 406.4830000000001
TPSA？: 150.26
MolLogP？: 1.6881999999999997
Number of H-Donors: 6
Number of H-Acceptors: 6
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | DU-145 | GI | 4.5 | % | 10.1021/acs.jnatprod.7b00060 |
| Homo sapiens | LNCaP C4-2B | IC50 | 5400.0 | nM | 10.1021/acs.jnatprod.7b00060 |