(1R,16S,20S,22S)-5,22-dihydroxy-8-methoxy-24-azapentacyclo[14.7.1.1²,⁶.1⁷,¹¹.0²⁰,²⁴]hexacosa-2(26),3,5,7,9,11(25)-hexaen-14-one
AlkaPlorer ID: AK266225
Synonym: None
IUPAC Name: (1R,16S,20S,22S)-5,22-dihydroxy-8-methoxy-24-azapentacyclo[14.7.1.12,6.17,11.020,24]hexacosa-2(26),3,5,7,9,11(25)-hexaen-14-one
Structure
SMILES: COC1=CC=C2C=C1C1=C(O)C=CC(=C1)[C@H]1C[C@@H](O)C[C@@H]3CCC[C@@H](CC(=O)CC2)N31
InChI: InChI=1S/C26H31NO4/c1-31-26-10-6-16-5-8-20(28)13-18-3-2-4-19-14-21(29)15-24(27(18)19)17-7-9-25(30)22(12-17)23(26)11-16/h6-7,9-12,18-19,21,24,29-30H,2-5,8,13-15H2,1H3/t18-,19-,21-,24+/m0/s1
InChIKey: IHNAIUPQWWANIH-OEEHMVQOSA-N
Reference
Structures of the Lythraceae alkaloids lythrumine and acetyllythrumine
PubChem CID: 101281366
LOTUS: LTS0154175
SuperNatural Ⅲ: SN0145792-01
NPASS: NPC77157
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Schinus terebinthifolia | Schinus | Anacardiaceae | Sapindales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 421.5370000000004
TPSA？: 69.99999999999999
MolLogP？: 4.392100000000004
Number of H-Donors: 2
Number of H-Acceptors: 5
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|