3-(4-bromophenyl)-7-{2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethoxy}chromen-4-one
AlkaPlorer ID: AK464747
Synonym: None
IUPAC Name: 3-(4-bromophenyl)-7-[2-(2,6-dimethylmorpholin-4-yl)ethoxy]chromen-4-one
Structure
SMILES: CC1CN(CCOC2=CC=C3C(=O)C(C4=CC=C(Br)C=C4)=COC3=C2)CC(C)O1
InChI: InChI=1S/C23H24BrNO4/c1-15-12-25(13-16(2)29-15)9-10-27-19-7-8-20-22(11-19)28-14-21(23(20)26)17-3-5-18(24)6-4-17/h3-8,11,14-16H,9-10,12-13H2,1-2H3
InChIKey: NDTHXRDBYFMOEK-UHFFFAOYSA-N
Reference
<i>ent</i>-Kaurane-Based Diterpenoids, Dimers, and Meroditerpenoids from <i>Isodon xerophilus</i>
PubChem CID: 16420230
COCONUT: CNP0233865.2
Source
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Properties Information
Molecule Weight: 458.35200000000015
TPSA？: 51.91
MolLogP？: 4.710500000000004
Number of H-Donors: 0
Number of H-Acceptors: 5
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
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