3-Hydroxyrutaecarpine
AlkaPlorer ID: AK027081
Synonym: '', 'ConMedNP.2964'
IUPAC Name: 17-hydroxy-3,13,21-triazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(21),2(10),4,6,8,15(20),16,18-octaen-14-one
Structure
SMILES: O=C1C2=CC(O)=CC=C2N=C2C3=C(CCN21)C1=CC=CC=C1N3
InChI: InChI=1S/C18H13N3O2/c22-10-5-6-15-13(9-10)18(23)21-8-7-12-11-3-1-2-4-14(11)19-16(12)17(21)20-15/h1-6,9,19,22H,7-8H2
InChIKey: NDJIQTYBQIKAGG-UHFFFAOYSA-N
Reference
Indolopyridoquinazoline alkaloid from Leptothyrsa sprucei
PubChem CID: 637395
CAS: 381723-48-4
LOTUS: LTS0019433
COCONUT: CNP0169986
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|
Properties Information
Molecule Weight: 303.321
TPSA？: 70.91
MolLogP？: 2.8065000000000007
Number of H-Donors: 2
Number of H-Acceptors: 4
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | HeLa | EC50 | 11300.0 | nM | 10.1016/j.bmcl.2017.08.045 |