Ent-homocyclopiamine B
AlkaPlorer ID: AK326686
Synonym: None
IUPAC Name: (3S,3'aR,9'aS,10'aR)-7-methoxy-1',1',11,11-tetramethyl-3'a-nitrospiro[1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7-triene-3,2'-4,6,7,8,9,9a,10,10a-octahydro-3H-cyclopenta[b]quinolizine]-2,9-dione
Structure
SMILES: COC1=CC=C2C3=C1C(=O)CC(C)(C)N3C(=O)[C@]21C[C@]2([N+](=O)[O-])CN3CCCC[C@H]3C[C@@H]2C1(C)C
InChI: InChI=1S/C27H35N3O5/c1-24(2)13-18(31)21-19(35-5)10-9-17-22(21)29(24)23(32)27(17)14-26(30(33)34)15-28-11-7-6-8-16(28)12-20(26)25(27,3)4/h9-10,16,20H,6-8,11-15H2,1-5H3/t16-,20+,26-,27-/m0/s1
InChIKey: RFULODNZOBWCJP-ZXNGJIJRSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Penicillium concentricum | Penicillium | Aspergillaceae | Eurotiales | Eurotiomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 481.5930000000004
TPSA？: 92.99
MolLogP？: 3.964400000000003
Number of H-Donors: 0
Number of H-Acceptors: 6
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|