1-[(1R,4R,12R,16S)-7-methoxy-17-oxa-5,15-diazahexacyclo[13.4.3.0¹,¹⁶.0⁴,¹².0⁶,¹¹.0¹²,¹⁶]docosa-6(11),7,9-trien-5-yl]ethanone
AlkaPlorer ID: AK268318
Synonym: None
IUPAC Name: 1-[(1R,4R,12R,16S)-7-methoxy-17-oxa-5,15-diazahexacyclo[13.4.3.01,16.04,12.06,11.012,16]docosa-6(11),7,9-trien-5-yl]ethanone
Structure
SMILES: COC1=CC=CC2=C1N(C(C)=O)[C@@H]1CC[C@@]34CCCN5CC[C@@]21[C@]53OCC4
InChI: InChI=1S/C22H28N2O3/c1-15(25)24-18-7-9-20-8-4-12-23-13-10-21(18,22(20,23)27-14-11-20)16-5-3-6-17(26-2)19(16)24/h3,5-6,18H,4,7-14H2,1-2H3/t18-,20-,21-,22+/m1/s1
InChIKey: BCCJQPBCOKOJHR-NMIHRBCNSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Vallesia glabra | Vallesia | Apocynaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 368.4770000000002
TPSA？: 42.010000000000005
MolLogP？: 3.064400000000002
Number of H-Donors: 0
Number of H-Acceptors: 4
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|