Communesin-B
AlkaPlorer ID: AK022701
Synonym: 'SMR000440701', 'Nomofungin', 'MLS000863651', '(+)-Communesin B', 'MLSMR', 'Communesin B'
IUPAC Name: (2E,4E)-1-[(2R,6S,14S,22S,25R)-25-[(2S)-3,3-dimethyloxiran-2-yl]-15-methyl-1,3,13,15-tetrazaheptacyclo[18.4.1.02,6.06,22.07,12.014,22.016,21]pentacosa-7,9,11,16,18,20-hexaen-3-yl]hexa-2,4-dien-1-one
Structure
SMILES: C/C=C/C=C/C(=O)N1CC[C@]23C4=C(C=CC=C4)N[C@H]4N(C)C5=CC=CC6=C5[C@]42CCN([C@H]6[C@@H]2OC2(C)C)[C@H]13
InChI: InChI=1S/C32H36N4O2/c1-5-6-7-15-24(37)35-18-16-31-21-12-8-9-13-22(21)33-28-32(31)17-19-36(29(31)35)26(27-30(2,3)38-27)20-11-10-14-23(25(20)32)34(28)4/h5-15,26-29,33H,16-19H2,1-4H3/b6-5+,15-7+/t26-,27+,28+,29+,31-,32-/m1/s1
InChIKey: XZFSMUXVAYCHFO-WARZXKATSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Axinella verrucosa | Axinella | Axinellidae | Axinellida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 508.66600000000034
TPSA？: 51.35000000000001
MolLogP？: 4.692300000000005
Number of H-Donors: 1
Number of H-Acceptors: 5
RingCount: 8
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|