Complanadine E
AlkaPlorer ID: AK066790
Synonym: None
IUPAC Name: (1R,9S,10R,16R)-16-methyl-4-[(1R,2R,5S,7R,9S,10R,16R)-16-methyl-6,14-diazatetracyclo[7.5.3.01,10.02,7]heptadecan-5-yl]-6,14-diazatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene
Structure
SMILES: C[C@@H]1C[C@H]2C[C@H]3N[C@H](C4=CC5=C(C[C@@H]6C[C@@H](C)C[C@]57NCCC[C@H]67)N=C4)CC[C@H]3[C@]3(C1)NCCC[C@H]23
InChI: InChI=1S/C32H48N4/c1-19-12-22-15-30-26(31(16-19)24(22)5-3-9-34-31)7-8-28(36-30)23-13-27-29(33-18-23)14-21-11-20(2)17-32(27)25(21)6-4-10-35-32/h13,18-22,24-26,28,30,34-36H,3-12,14-17H2,1-2H3/t19-,20-,21+,22+,24-,25-,26-,28+,30-,31-,32-/m1/s1
InChIKey: IRZUNWKJFGYZDJ-RCMTYSEESA-N
Reference
Lyconadins D and E, and complanadine E, new Lycopodium alkaloids from Lycopodium complanatum
PubChem CID: 53320497
LOTUS: LTS0065003
SuperNatural Ⅲ: SN0153800-01
NPASS: NPC167635
Source
Properties Information
Molecule Weight: 488.7640000000004
TPSA?: 48.98
MolLogP?: 5.476200000000005
Number of H-Donors: 3
Number of H-Acceptors: 4
RingCount: 8
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | Beta-nerve growth factor | FC | 2.8 | None | 10.1016/j.bmc.2010.12.025 |
