(20R)-4,5,10-trimethoxy-16-azapentacyclo[12.7.0.0²,⁷.0⁸,¹³.0¹⁶,²⁰]henicosa-1(14),2,4,6,8,10,12-heptaen-11-ol
AlkaPlorer ID: AK000825
Synonym: None
IUPAC Name: (13aR)-2,3,6-trimethoxy-9,11,12,13,13a,14-hexahydrophenanthro[10,9-f]indolizin-7-ol
Structure
SMILES: COC1=CC2=C(C=C1O)C1=C(C[C@H]3CCCN3C1)C1=CC(OC)=C(OC)C=C12
InChI: InChI=1S/C23H25NO4/c1-26-21-9-16-15(8-20(21)25)19-12-24-6-4-5-13(24)7-14(19)17-10-22(27-2)23(28-3)11-18(16)17/h8-11,13,25H,4-7,12H2,1-3H3/t13-/m1/s1
InChIKey: ODPLWLKKGHQYFQ-CYBMUJFWSA-N
Reference
Phenanthroindolizidine alkaloids from Tylophora tanakae
PubChem CID: 10022621
LOTUS: LTS0052725
SuperNatural Ⅲ: SN0262577-01
NPASS: NPC186063
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Cynanchum | Apocynaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 379.4560000000001
TPSA？: 51.16000000000001
MolLogP？: 4.244900000000004
Number of H-Donors: 1
Number of H-Acceptors: 5
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| None | NON-PROTEIN TARGET | IC50 | 15.0 | nM | 10.1021/np0106384 |
| None | NON-PROTEIN TARGET | IC50 | 17.0 | nM | 10.1021/np0106384 |