2,3,10,11-Berbinetetrol; (S)-form, Tetra-Me ether
AlkaPlorer ID: AK290527
Synonym: 5,8,13,13a-Tetrahydro-2,3,10,11-tetramethoxy-6H-dibenzo[a,g]quinolizine, Xylopinine, Norcoralydine, O,O-Dimethylcoreximine, O,O-Dimethylgovanine
IUPAC Name: 2,3,10,11-tetramethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline
Structure
SMILES: COC1=C(OC)C=C2CN3CCC4=C(C=C(OC)C(OC)=C4)C3CC2=C1
InChI: InChI=1S/C21H25NO4/c1-23-18-8-13-5-6-22-12-15-10-20(25-3)19(24-2)9-14(15)7-17(22)16(13)11-21(18)26-4/h8-11,17H,5-7,12H2,1-4H3
InChIKey: YOAUKNYXWBTMMF-UHFFFAOYSA-N
Reference
The protoberberine alkaloids of Stephania suberosa
PubChem CID: 10653
CAS: 523-02-4
LOTUS: LTS0273788
NPASS: NPC128019
COCONUT: CNP0218973.3
Source
Properties Information
Molecule Weight: 355.4340000000001
TPSA？: 40.16
MolLogP？: 3.376500000000002
Number of H-Donors: 0
Number of H-Acceptors: 5
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | DNA repair protein RAD52 homolog | AC50 | 4490.0 | nM | None |
| Homo sapiens | GES1 | IC50 | 150000.0 | nM | 10.1016/j.bmc.2022.116705 |
| Homo sapiens | HGC-27 | IC50 | 86600.0 | nM | 10.1016/j.bmc.2022.116705 |
| Homo sapiens | MGC-803 | IC50 | 94300.0 | nM | 10.1016/j.bmc.2022.116705 |