(9s)-4,5,14,15,16-pentamethoxy-10-azatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadeca-1(16),2(7),3,5,13(17),14-hexaene
AlkaPlorer ID: AK003970
Synonym: '(9S)-4,5,14,15,16-pentamethoxy-10-azatetracyclo7.7.1.0²,⁷.0¹³,¹⁷heptadeca-1(16),2(7),3,5,13(17),14-hexaene'
IUPAC Name: (6aR)-1,2,3,9,10-pentamethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline
Structure
SMILES: COC1=CC2=C(C=C1OC)C1=C(OC)C(OC)=C(OC)C3=C1[C@@H](C2)NCC3
InChI: InChI=1S/C21H25NO5/c1-23-15-9-11-8-14-17-12(6-7-22-14)19(25-3)21(27-5)20(26-4)18(17)13(11)10-16(15)24-2/h9-10,14,22H,6-8H2,1-5H3/t14-/m1/s1
InChIKey: MXTWKFQBYULPCY-CQSZACIVSA-N
Reference
Tumor Inhibitors II: Cytotoxic Alkaloids from Annona Purpurea
PubChem CID: 162982882
LOTUS: LTS0272407
SuperNatural Ⅲ: SN0238242-02
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Annona purpurea | Annona | Annonaceae | Magnoliales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 371.43300000000016
TPSA？: 58.18000000000001
MolLogP？: 3.139500000000001
Number of H-Donors: 1
Number of H-Acceptors: 6
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|