1-{16-hydroxy-15-methoxy-10-azatetracyclo[7.7.1.0²,?.0¹³,¹?]heptadeca-1(17),2,4,6,13,15-hexaen-10-yl}butan-1-one
AlkaPlorer ID: AK027324
Synonym: None
IUPAC Name: 1-[(6aS)-1-hydroxy-2-methoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-6-yl]butan-1-one
Structure
SMILES: CCCC(=O)N1CCC2=C3C(=C(O)C(OC)=C2)C2=CC=CC=C2C[C@@H]31
InChI: InChI=1S/C21H23NO3/c1-3-6-18(23)22-10-9-14-12-17(25-2)21(24)20-15-8-5-4-7-13(15)11-16(22)19(14)20/h4-5,7-8,12,16,24H,3,6,9-11H2,1-2H3/t16-/m0/s1
InChIKey: WAUASOMBVUHOLC-INIZCTEOSA-N
Reference
Aporphine alkaloids and cytotoxic lignans from the roots of Illigera luzonensis
PubChem CID: 52937790
LOTUS: LTS0053957
NPASS: NPC118396
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: 337.41900000000004
TPSA？: 49.77000000000001
MolLogP？: 3.8498000000000014
Number of H-Donors: 1
Number of H-Acceptors: 3
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|