Cortistatin H
AlkaPlorer ID: AK001586
Synonym: None
IUPAC Name: (1S,2R,5R,6R,14R,16R)-N,N,6-trimethyl-5-[(2R)-4-(3-methylpyridin-4-yl)butan-2-yl]-19-oxapentacyclo[14.2.1.01,9.02,6.011,16]nonadeca-9,11-dien-14-amine
Structure
SMILES: CC1=C(C=CN=C1)CC[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
InChI: InChI=1S/C31H44N2O/c1-21(6-7-23-13-17-32-20-22(23)2)27-10-11-28-29(27,3)14-12-25-18-24-8-9-26(33(4)5)19-30(24)15-16-31(25,28)34-30/h8,13,17-18,20-21,26-28H,6-7,9-12,14-16,19H2,1-5H3/t21-,26-,27-,28-,29-,30-,31-/m1/s1
InChIKey: XWJPSPMNDHNLFX-JYZYKGANSA-N
Reference
Cortistatins E, F, G, and H, four novel steroidal alkaloids from marine sponge Corticium simplex
PubChem CID: 72710753
CAS: 941271-10-9
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|
Properties Information
Molecule Weight: 460.7060000000003
TPSA？: 25.36
MolLogP？: 6.6634200000000074
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 | 350.0 | nM | 10.1016/j.ejmech.2020.113043 |