(1R,16S,20S,22S)-5-hydroxy-8-methoxy-14-oxo-24-azapentacyclo[14.7.1.1²,⁶.1⁷,¹¹.0²⁰,²⁴]hexacosa-2(26),3,5,7,9,11(25)-hexaen-22-yl acetate
AlkaPlorer ID: AK262705
Synonym: None
IUPAC Name: [(1R,16S,20S,22S)-5-hydroxy-8-methoxy-14-oxo-24-azapentacyclo[14.7.1.12,6.17,11.020,24]hexacosa-2(26),3,5,7,9,11(25)-hexaen-22-yl] acetate
Structure
SMILES: COC1=CC=C2C=C1C1=C(O)C=CC(=C1)[C@H]1C[C@@H](OC(C)=O)C[C@@H]3CCC[C@@H](CC(=O)CC2)N31
InChI: InChI=1S/C28H33NO5/c1-17(30)34-23-15-21-5-3-4-20-14-22(31)9-6-18-7-11-28(33-2)25(12-18)24-13-19(8-10-27(24)32)26(16-23)29(20)21/h7-8,10-13,20-21,23,26,32H,3-6,9,14-16H2,1-2H3/t20-,21-,23-,26+/m0/s1
InChIKey: BTDFEUHNASWDAF-IBVSPSLBSA-N
Reference
Structures of the Lythraceae alkaloids lythrumine and acetyllythrumine
PubChem CID: 163044832
LOTUS: LTS0238487
SuperNatural Ⅲ: SN0034711-01
NPASS: NPC26950
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Schinus terebinthifolia | Schinus | Anacardiaceae | Sapindales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 463.5740000000004
TPSA？: 76.07
MolLogP？: 4.962900000000005
Number of H-Donors: 1
Number of H-Acceptors: 6
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|