Chamaedrine
AlkaPlorer ID: AK137559
Synonym: ''
IUPAC Name: (2S)-2-(dimethylamino)-N-[(3S,4S,7S,10Z)-7-(1H-indol-3-ylmethyl)-5,8-dioxo-3-propan-2-yl-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-1(14),10,12,15-tetraen-4-yl]-3-phenylpropanamide
Structure
SMILES: CC(C)[C@@H]1OC2=CC=C(/C=C\N=C(O)[C@H](CC3=CNC4=CC=CC=C34)N=C(O)[C@H]1N=C(O)[C@H](CC1=CC=CC=C1)N(C)C)C=C2
InChI: InChI=1S/C36H41N5O4/c1-23(2)33-32(40-35(43)31(41(3)4)20-25-10-6-5-7-11-25)36(44)39-30(21-26-22-38-29-13-9-8-12-28(26)29)34(42)37-19-18-24-14-16-27(45-33)17-15-24/h5-19,22-23,30-33,38H,20-21H2,1-4H3,(H,37,42)(H,39,44)(H,40,43)/b19-18-/t30-,31-,32-,33-/m0/s1
InChIKey: VLIMIPZMVDYYFR-FBMOLHIYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Melochia chamaedrys | Melochia | Malvaceae | Malvales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 607.7550000000001
TPSA？: 126.03
MolLogP？: 6.577900000000006
Number of H-Donors: 4
Number of H-Acceptors: 5
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|