(1R,21R)-21-{[(1R,14S,21R)-1,21-dihydroxy-16,17-dimethoxy-5,7-dioxa-13-azapentacyclo[11.8.0.0²,¹⁰.0⁴,⁸.0¹⁵,²⁰]henicosa-2(10),3,8,15(20),16,18-hexaen-14-yl]oxy}-21-hydroxy-16,17-dimethoxy-5,7-dioxa-13-azapentacyclo[11.8.0.0²,¹⁰.0⁴,⁸.0¹⁵,²⁰]henicosa-2(10),3
AlkaPlorer ID: AK268549
Synonym: None
IUPAC Name: (1R,21R)-21-[[(1R,14S,21R)-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]-21-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=C3[C@@H]1[C@]2(O)O[C@H]1C2=C(OC)C(OC)=CC=C2[C@@H](O)[C@]2(O)C3=CC5=C(C=C3CCN12)OCO5)OCO4
InChI: InChI=1S/C40H38N2O13/c1-47-25-7-5-21-31(33(25)49-3)38(42-12-10-20-14-28-30(54-18-52-28)16-24(20)39(42,45)36(21)43)55-40(46)23-6-8-26(48-2)34(50-4)32(23)37(44)41-11-9-19-13-27-29(53-17-51-27)15-22(19)35(40)41/h5-8,13-16,35-36,38,43,45-46H,9-12,17-18H2,1-4H3/t35-,36-,38+,39-,40-/m1/s1
InChIKey: XBOYVXOIENFIKU-UVTXMGCGSA-N
Reference
Berberis alkaloids. XVI. Structure of berpodine
PubChem CID: 162982331
LOTUS: LTS0044084
SuperNatural Ⅲ: SN0425750-01
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 |
|---|