(21R,22R)-4,5,10-trimethoxy-16-azapentacyclo[12.8.0.0²,⁷.0⁸,¹³.0¹⁶,²¹]docosa-1(14),2,4,6,8,10,12-heptaen-22-ol
AlkaPlorer ID: AK000108
Synonym: None
IUPAC Name: (14aR,15R)-2,3,6-trimethoxy-11,12,13,14,14a,15-hexahydro-9H-phenanthro[9,10-b]quinolizin-15-ol
Structure
SMILES: COC1=CC=C2C3=C(C4=CC(OC)=C(OC)C=C4C2=C1)[C@@H](O)[C@H]1CCCCN1C3
InChI: InChI=1S/C24H27NO4/c1-27-14-7-8-15-16(10-14)17-11-21(28-2)22(29-3)12-18(17)23-19(15)13-25-9-5-4-6-20(25)24(23)26/h7-8,10-12,20,24,26H,4-6,9,13H2,1-3H3/t20-,24+/m1/s1
InChIKey: KKXLHPYVIGADHN-YKSBVNFPSA-N
Reference
PubChem CID: 11843703
LOTUS: LTS0234787
SuperNatural Ⅲ: SN0188410-01
NPASS: NPC169743
data_source: manually
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Boehmeria pannosa | Boehmeria | Urticaceae | Rosales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 393.4830000000002
TPSA？: 51.16
MolLogP？: 4.420300000000004
Number of H-Donors: 1
Number of H-Acceptors: 5
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | A549 | GI50 | 20.0 | nM | 10.1016/j.ejmech.2012.02.048 |
| Homo sapiens | Aryl hydrocarbon receptor nuclear translocator | Activity | nan | None | 10.1021/np060081y |
| Homo sapiens | HL-60 | GI50 | 1.0 | nM | 10.1016/j.ejmech.2012.02.048 |
| Homo sapiens | Hypoxia-inducible factor 1 alpha | Activity | nan | None | 10.1021/np060081y |
| Homo sapiens | Hypoxia inducible factors; HIF-1-alpha, HIF-2-alpha | Activity | nan | None | 10.1021/np060081y |
| Homo sapiens | Hypoxia inducible factors; HIF-1-alpha, HIF-2-alpha | IC50 | 48.1 | nM | 10.1021/np060081y |