(12S)-3,5-dioxa-11-azapentacyclo[10.7.1.0²,⁶.0⁸,²⁰.0¹⁴,¹⁹]icosa-1(20),2(6),7,14(19),15,17-hexaen-13-one
AlkaPlorer ID: AK037852
Synonym: None
IUPAC Name: (12S)-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1(20),2(6),7,14,16,18-hexaen-13-one
Structure
SMILES: O=C1C2=CC=CC=C2C2=C3OCOC3=CC3=C2[C@@H]1NCC3
InChI: InChI=1S/C17H13NO3/c19-16-11-4-2-1-3-10(11)14-13-9(5-6-18-15(13)16)7-12-17(14)21-8-20-12/h1-4,7,15,18H,5-6,8H2/t15-/m0/s1
InChIKey: PGYODQHPEOMMMH-HNNXBMFYSA-N
Reference
The Constituents of <i>Cananga odorata</i>
PubChem CID: 162932018
LOTUS: LTS0025238
SuperNatural Ⅲ: SN0285136-01
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Cananga odorata | Cananga | Annonaceae | Magnoliales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 279.295
TPSA？: 47.56
MolLogP？: 2.4654
Number of H-Donors: 1
Number of H-Acceptors: 4
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|