1-{16-hydroxy-15-methoxy-10-azatetracyclo[7.7.1.0²,?.0¹³,¹?]heptadeca-1(17),2,4,6,13,15-hexaen-10-yl}propan-1-one
AlkaPlorer ID: AK027381
Synonym: None
IUPAC Name: 1-[(6aS)-1-hydroxy-2-methoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-6-yl]propan-1-one
Structure
SMILES: CCC(=O)N1CCC2=C3C(=C(O)C(OC)=C2)C2=CC=CC=C2C[C@@H]31
InChI: InChI=1S/C20H21NO3/c1-3-17(22)21-9-8-13-11-16(24-2)20(23)19-14-7-5-4-6-12(14)10-15(21)18(13)19/h4-7,11,15,23H,3,8-10H2,1-2H3/t15-/m0/s1
InChIKey: WXLUSLCMVPMWTR-HNNXBMFYSA-N
Reference
Aporphine alkaloids and cytotoxic lignans from the roots of Illigera luzonensis
PubChem CID: 52937889
LOTUS: LTS0163667
NPASS: NPC256744
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Piper sylvaticum | Piper | Piperaceae | Piperales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Avena fatua | Avena | Poaceae | Poales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 323.39200000000005
TPSA？: 49.77000000000001
MolLogP？: 3.4597000000000024
Number of H-Donors: 1
Number of H-Acceptors: 3
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|