Complanadine B
AlkaPlorer ID: AK128693
Synonym: None
IUPAC Name: (1R,9R,10R,16R)-16-methyl-5-[(1R,9S,10R,16R)-16-methyl-6,14-diazatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-yl]-6,14-diazatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-8-one
Structure
SMILES: C[C@@H]1C[C@H]2CC3=NC=C(C4=CC=C5C(=N4)C(=O)[C@@H]4C[C@@H](C)C[C@]56NCCC[C@H]46)C=C3[C@]3(C1)NCCC[C@H]23
InChI: InChI=1S/C32H40N4O/c1-18-11-20-14-28-26(31(15-18)23(20)5-3-9-34-31)13-21(17-33-28)27-8-7-25-29(36-27)30(37)22-12-19(2)16-32(25)24(22)6-4-10-35-32/h7-8,13,17-20,22-24,34-35H,3-6,9-12,14-16H2,1-2H3/t18-,19-,20+,22-,23-,24-,31-,32-/m1/s1
InChIKey: RRPXLCVXAVGMCD-PMCZBPHQSA-N
Reference
Complanadine B, obscurumines A and B, new alkaloids from two species of Lycopodium
PubChem CID: 11488838
LOTUS: LTS0213750
SuperNatural Ⅲ: SN0333409-02
NPASS: NPC34837
Source
Properties Information
Molecule Weight: 496.6990000000004
TPSA？: 66.91
MolLogP？: 5.378000000000005
Number of H-Donors: 2
Number of H-Acceptors: 5
RingCount: 8
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | Beta-nerve growth factor | FC | 2.3 | None | 10.1016/j.bmc.2010.12.025 |