Sclerotiamide B
AlkaPlorer ID: AK123790
Synonym: None
IUPAC Name: (1'R,3R,7'S,9'S,12'S)-12'-methoxy-7,7,10',10'-tetramethylspiro[1H-pyrano[2,3-g]indole-3,11'-3,13-diazatetracyclo[5.5.2.01,9.03,7]tetradecane]-2,2',14'-trione
Structure
SMILES: CO[C@@H]1[C@@]23N=C(O)[C@]4(CCCN4C2=O)C[C@H]3C(C)(C)[C@]12C(O)=NC1=C3C=CC(C)(C)OC3=CC=C12
InChI: InChI=1S/C27H31N3O5/c1-23(2)11-9-14-16(35-23)8-7-15-18(14)28-21(32)26(15)19(34-5)27-17(24(26,3)4)13-25(20(31)29-27)10-6-12-30(25)22(27)33/h7-9,11,17,19H,6,10,12-13H2,1-5H3,(H,28,32)(H,29,31)/t17-,19-,25-,26-,27+/m0/s1
InChIKey: KYOGJHMTXUTNJJ-WDMQBYORSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Fusarium sambucinum | Fusarium | Nectriaceae | Hypocreales | Sordariomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 477.56100000000026
TPSA？: 103.95
MolLogP？: 3.855000000000002
Number of H-Donors: 2
Number of H-Acceptors: 5
RingCount: 8
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|