Marcfortine B
AlkaPlorer ID: AK053670
Synonym: None
IUPAC Name: (1'S,8R,8'S,10'R)-4,4,11',11'-tetramethylspiro[10H-[1,4]dioxepino[2,3-g]indole-8,12'-3,14-diazatetracyclo[6.5.2.01,10.03,8]pentadecane]-9,15'-dione
Structure
SMILES: CC1(C)C=COC2=C(C=CC3=C2N=C(O)[C@@]32C[C@@]34CN5CCCC[C@]5(C[C@@H]3C2(C)C)C(O)=N4)O1
InChI: InChI=1S/C27H33N3O4/c1-23(2)10-12-33-20-17(34-23)8-7-16-19(20)28-22(32)27(16)14-25-15-30-11-6-5-9-26(30,21(31)29-25)13-18(25)24(27,3)4/h7-8,10,12,18H,5-6,9,11,13-15H2,1-4H3,(H,28,32)(H,29,31)/t18-,25-,26+,27-/m1/s1
InChIKey: SGIZPBSMKAKPSO-KVPGOQOISA-N
Reference
Structures of marcfortine B and C (X-ray analysis), alkaloids from
PubChem CID: 139585636
LOTUS: LTS0157708
SuperNatural Ⅲ: SN0344763-03
{NPAtlas: NPA009142
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Penicillium roqueforti | Penicillium | Aspergillaceae | Eurotiales | Eurotiomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 463.5780000000003
TPSA？: 86.88000000000001
MolLogP？: 4.9729000000000045
Number of H-Donors: 2
Number of H-Acceptors: 5
RingCount: 8
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|