Brevianamide B
AlkaPlorer ID: AK038462
Synonym: None
IUPAC Name: (1'S,2R,7'S,9'R)-10',10'-dimethylspiro[1H-indole-2,11'-3,13-diazatetracyclo[5.5.2.01,9.03,7]tetradecane]-2',3,14'-trione
Structure
SMILES: CC1(C)[C@H]2C[C@]34CCCN3C(=O)[C@@]2(C[C@@]12NC1=CC=CC=C1C2=O)N=C4O
InChI: InChI=1S/C21H23N3O3/c1-18(2)14-10-19-8-5-9-24(19)17(27)20(14,23-16(19)26)11-21(18)15(25)12-6-3-4-7-13(12)22-21/h3-4,6-7,14,22H,5,8-11H2,1-2H3,(H,23,26)/t14-,19+,20+,21+/m1/s1
InChIKey: MWOFPQAPILIIPR-LYARXQMPSA-N
Reference
Biosynthesis of brevianamides A and B: in search of the biosynthetic diels-alder construction
PubChem CID: 25163936
LOTUS: LTS0009741
{NPAtlas: NPA020303
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Penicillium brevicompactum | Penicillium | Aspergillaceae | Eurotiales | Eurotiomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 365.4330000000001
TPSA？: 82.0
MolLogP？: 2.5535000000000005
Number of H-Donors: 2
Number of H-Acceptors: 4
RingCount: 7
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|