Chinese bittersweet alkaloid A
AlkaPlorer ID: AK010092
Synonym: None
IUPAC Name: None
Structure
SMILES: O[C@@]([C@@]1(O[C@@]2(C)COC(C3=CC=CN=C3[C@@H](C)[C@H]4C)=O)[C@H](OC(C)=O)[C@H]2[C@H]5OC(C)=O)(C)[C@H]([C@H](O)[C@H](OCCCC)[C@@]1(COCC(C)C)[C@@H]5OC(C)=O)OC4=O
InChI: InChI=1S/C40H57NO15/c1-11-12-16-50-33-29(45)32-38(10,48)40-31(53-24(7)43)27(30(52-23(6)42)34(54-25(8)44)39(33,40)19-49-17-20(2)3)37(9,56-40)18-51-36(47)26-14-13-15-41-28(26)21(4)22(5)35(46)55-32/h13-15,20-22,27,29-34,45,48H,11-12,16-19H2,1-10H3/t21-,22+,27+,29-,30+,31+,32-,33-,34+,37-,38-,39-,40-/m0/s1
InChIKey: HTOLEOWEUIFTEC-IPEHDTMYSA-N
Reference
Two new sesquiterpene pyridine alkaloids from root barks of Celastrus angulatus
data_source: manually
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Celastrus angulatus | Celastrus | Celastraceae | Celastrales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 791.8879999999998
TPSA？: 212.53999999999996
MolLogP？: 2.8258000000000028
Number of H-Donors: 2
Number of H-Acceptors: 16
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|