Complanadines C
AlkaPlorer ID: AK050845
Synonym: None
IUPAC Name: (1R,2S,10S,13S,15R)-15-methyl-4-[(1R,2R,10S,13S,15R)-15-methyl-11-oxo-6-azatetracyclo[8.6.0.01,6.02,13]hexadec-4-en-4-yl]-6-azatetracyclo[8.6.0.01,6.02,13]hexadec-3-ene-5,11-dione
Structure
SMILES: C[C@@H]1C[C@H]2CC(=O)[C@H]3CCCN4C=C(C5=C[C@@H]6[C@@H]7CC(=O)[C@H]8CCCN(C5=O)[C@@]86C[C@H](C)C7)C[C@H]2[C@]34C1
InChI: InChI=1S/C32H42N2O3/c1-18-9-20-12-28(35)24-5-3-7-33-17-22(11-26(20)31(24,33)15-18)23-14-27-21-10-19(2)16-32(27)25(29(36)13-21)6-4-8-34(32)30(23)37/h14,17-21,24-27H,3-13,15-16H2,1-2H3/t18-,19-,20+,21+,24-,25-,26-,27-,31+,32+/m1/s1
InChIKey: WIKLMEPVJASSRU-YSXVRAOPSA-N
Reference
Complanadines C and D, new dimeric alkaloids from Lycopodium complanatum
PubChem CID: 44421961
LOTUS: LTS0039583
SuperNatural Ⅲ: SN0411118-01
NPASS: NPC143173
Source
Properties Information
Molecule Weight: 502.69900000000047
TPSA？: 57.690000000000005
MolLogP？: 4.912400000000005
Number of H-Donors: 0
Number of H-Acceptors: 4
RingCount: 8
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Aspergillus niger | Aspergillus niger | MIC | 2.05 | ug.mL-1 | 10.1016/j.bmc.2006.09.043 |
| Cryptococcus neoformans | Cryptococcus neoformans | MIC | 0.52 | ug.mL-1 | 10.1016/j.bmc.2006.09.043 |
| Mus musculus | L1210 | IC50 | 10.0 | ug.mL-1 | 10.1016/j.bmc.2006.09.043 |