Berpodine
AlkaPlorer ID: AK290551
Synonym: None
IUPAC Name: 21-[(1,21-dihydroxy-16,17-dimethoxy-5,7-dioxa-13-azapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-2,4(8),9,15(20),16,18-hexaen-14-yl)oxy]-1-hydroxy-16,17-dimethoxy-5,7-dioxa-13-azapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-2,4(8),9,15(20),16,18-hexaen-14-one
Structure
SMILES: COC1=CC=C2C(=C1OC)C(=O)N1CCC3=CC4=C(C=C3C1(O)C2OC1C2=C(OC)C(OC)=CC=C2C(O)C2(O)C3=CC5=C(C=C3CCN12)OCO5)OCO4
InChI: InChI=1S/C40H38N2O13/c1-47-25-8-6-22-31(33(25)49-3)37(44)41-11-9-20-14-28-30(54-18-52-28)16-24(20)40(41,46)36(22)55-38-32-21(5-7-26(48-2)34(32)50-4)35(43)39(45)23-15-29-27(51-17-53-29)13-19(23)10-12-42(38)39/h5-8,13-16,35-36,38,43,45-46H,9-12,17-18H2,1-4H3
InChIKey: MKZMNXURTPRMLM-UHFFFAOYSA-N
Reference
Berberis alkaloids. XVI. Structure of berpodine
PubChem CID: 163192687
CAS: 169238-48-6
LOTUS: LTS0182367
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Berberis heteropoda | Berberis | Berberidaceae | Ranunculales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 754.7449999999999
TPSA？: 167.30999999999997
MolLogP？: 3.542500000000003
Number of H-Donors: 3
Number of H-Acceptors: 14
RingCount: 10
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|