Cortistatin E
AlkaPlorer ID: AK001210
Synonym: None
IUPAC Name: (1S,2R,5R,6R,14R,16R)-5-[(2R)-4-(1,3-dimethylpiperidin-4-yl)butan-2-yl]-N,N,6-trimethyl-19-oxapentacyclo[14.2.1.01,9.02,6.011,16]nonadeca-9,11-dien-14-amine
Structure
SMILES: CC1CN(CCC1CC[C@@H](C)[C@H]2CC[C@@H]3[C@@]2(CCC4=CC5=CC[C@H](C[C@]56CC[C@]34O6)N(C)C)C)C
InChI: InChI=1S/C32H52N2O/c1-22(7-8-24-14-18-34(6)21-23(24)2)28-11-12-29-30(28,3)15-13-26-19-25-9-10-27(33(4)5)20-31(25)16-17-32(26,29)35-31/h9,19,22-24,27-29H,7-8,10-18,20-21H2,1-6H3/t22-,23?,24?,27-,28-,29-,30-,31-,32-/m1/s1
InChIKey: NHQQBQFKOMCHDG-FCFSTLODSA-N
Reference
Cortistatins E, F, G, and H, four novel steroidal alkaloids from marine sponge Corticium simplex
PubChem CID: 70680267
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|
Properties Information
Molecule Weight: 480.78100000000035
TPSA？: 15.71
MolLogP？: 6.695200000000008
Number of H-Donors: 0
Number of H-Acceptors: 3
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | HUVEC | IC50 | 450.0 | nM | 10.1016/j.ejmech.2020.113043 |