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29429-03-6 | 1H-Pyrrolo[3,2,1-de]phenanthridine-1,2,10-triol, 2,4,5,7,11b,11c-hexahydro-9-methoxy-, (1S,2S,11bS,11cS)-
CAS No: 29429-03-6 Catalog No: AG002YCT MDL No:
Product Description
Catalog Number:
AG002YCT
Chemical Name:
1H-Pyrrolo[3,2,1-de]phenanthridine-1,2,10-triol, 2,4,5,7,11b,11c-hexahydro-9-methoxy-, (1S,2S,11bS,11cS)-
CAS Number:
29429-03-6
Molecular Formula:
C16H19NO4
Molecular Weight:
289.3264
IUPAC Name:
(1S,14S,15S,16S)-5-methoxy-9-azatetracyclo[7.6.1.02,7.012,16]hexadeca-2,4,6,12-tetraene-4,14,15-triol
InChI:
InChI=1S/C16H19NO4/c1-21-13-5-9-7-17-3-2-8-4-12(19)16(20)14(15(8)17)10(9)6-11(13)18/h4-6,12,14-16,18-20H,2-3,7H2,1H3/t12-,14-,15+,16+/m0/s1
InChI Key:
CKAHWDNDUGDSLE-ARLBYUKCSA-N
SMILES:
COc1cc2CN3CCC4=C[C@@H]([C@H]([C@@H](c2cc1O)[C@H]34)O)O
Properties
Complexity:
454
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
289.131g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
289.331g/mol
Monoisotopic Mass:
289.131g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
73.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
Literature
| Title | Journal |
|---|---|
| Structure-activity studies on acetylcholinesterase inhibition in the lycorine series of Amaryllidaceae alkaloids. | Bioorganic & medicinal chemistry letters 20100901 |
| Amaryllidaceae alkaloids belonging to different structural subgroups display activity against apoptosis-resistant cancer cells. | Journal of natural products 20100723 |
| Lycorine, the main phenanthridine Amaryllidaceae alkaloid, exhibits significant antitumor activity in cancer cells that display resistance to proapoptotic stimuli: an investigation of structure-activity relationship and mechanistic insight. | Journal of medicinal chemistry 20091022 |
| Antiviral (RNA) activity of selected Amaryllidaceae isoquinoline constituents and synthesis of related substances. | Journal of natural products 19921101 |
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