(20R)-4,5,9,10-tetramethoxy-16-azapentacyclo[12.7.0.0²,⁷.0⁸,¹³.0¹⁶,²⁰]henicosa-1(14),2,4,6,8,10,12-heptaen-16-ium-16-olate
AlkaPlorer ID: AK322584
Synonym: None
IUPAC Name: (10S,13aR)-2,3,5,6-tetramethoxy-10-oxido-9,11,12,13,13a,14-hexahydrophenanthro[9,10-f]indolizin-10-ium
Structure
SMILES: COC1=C(OC)C=C2C(=C1)C1=C(C[N@@+]3([O-])CCC[C@@H]3C1)C1=CC=C(OC)C(OC)=C12
InChI: InChI=1S/C24H27NO5/c1-27-20-8-7-15-19-13-25(26)9-5-6-14(25)10-16(19)17-11-21(28-2)22(29-3)12-18(17)23(15)24(20)30-4/h7-8,11-12,14H,5-6,9-10,13H2,1-4H3/t14-,25+/m1/s1
InChIKey: YGBVKYSGPYHGGR-PWECECGKSA-N
Reference
Phenanthroindolizidine Alkaloids from the Stems of <i>Ficus septica</i>
PubChem CID: 11165750
LOTUS: LTS0007283
NPASS: NPC477132
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Ficus septica | Ficus | Moraceae | Rosales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 409.48200000000014
TPSA？: 59.98
MolLogP？: 4.560500000000005
Number of H-Donors: 0
Number of H-Acceptors: 5
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | NUGC | Inhibition | 94.0 | % | 10.1021/np050095o |
| None | NON-PROTEIN TARGET | Inhibition | 92.0 | % | 10.1021/np050095o |