Malbrancheamide A; (+)-form, 9-Dechloro
AlkaPlorer ID: AK305048
Synonym: Isomalbrancheamide B
IUPAC Name: 6-chloro-12,12-dimethyl-10,19,21-triazahexacyclo[13.5.2.01,13.03,11.04,9.015,19]docosa-3(11),4(9),5,7-tetraen-22-one
Structure
SMILES: CC1(C)C2=C(CC34CN5CCCC5(CC31)C(=O)N4)C1=CC(Cl)=CC=C1N2
InChI: InChI=1S/C21H24ClN3O/c1-19(2)16-10-21-6-3-7-25(21)11-20(16,24-18(21)26)9-14-13-8-12(22)4-5-15(13)23-17(14)19/h4-5,8,16,23H,3,6-7,9-11H2,1-2H3,(H,24,26)
InChIKey: OLTNNHBFPVARTE-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Malbranchea graminicola | Malbranchea | Malbrancheaceae | Onygenales | Eurotiomycetes | Ascomycota | Fungi | Eukaryota |
| Malbranchea aurantiaca | Malbranchea | Malbrancheaceae | Onygenales | Eurotiomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 369.896
TPSA？: 48.13
MolLogP？: 3.3781000000000017
Number of H-Donors: 2
Number of H-Acceptors: 2
RingCount: 7
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|