(2R,3R,11bS)-2-[(3,4-Dihydro-6-hydroxy-7-methoxy-1-isoquinolinyl)methyl]-3-ethyl-1,3,4,6,7,11b-hexahydro-9,10-dimethoxy-2H-benzo[a]quinolizin-8-ol
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![(2R,3R,11bS)-2-[(3,4-Dihydro-6-hydroxy-7-methoxy-1-isoquinolinyl)methyl]-3-ethyl-1,3,4,6,7,11b-hexahydro-9,10-dimethoxy-2H-benzo[a]quinolizin-8-ol structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/558dcc9e268546e89fa322f915d34d10.png "(2R,3R,11bS)-2-[(3,4-Dihydro-6-hydroxy-7-methoxy-1-isoquinolinyl)methyl]-3-ethyl-1,3,4,6,7,11b-hexahydro-9,10-dimethoxy-2H-benzo[a]quinolizin-8-ol")
(2R,3R,11bS)-2-[(3,4-Dihydro-6-hydroxy-7-methoxy-1-isoquinolinyl)methyl]-3-ethyl-1,3,4,6,7,11b-hexahydro-9,10-dimethoxy-2H-benzo[a]quinolizin-8-ol
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CAS No:
16531-04-7
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Formula:
C28H36N2O5
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Chemical Name:
(2R,3R,11bS)-2-[(3,4-Dihydro-6-hydroxy-7-methoxy-1-isoquinolinyl)methyl]-3-ethyl-1,3,4,6,7,11b-hexahydro-9,10-dimethoxy-2H-benzo[a]quinolizin-8-ol
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Synonyms:
2H-Benzo[a]quinolizin-8-ol,2-[(3,4-dihydro-6-hydroxy-7-methoxy-1-isoquinolinyl)methyl]-3-ethyl-1,3,4,6,7,11b-hexahydro-9,10-dimethoxy-,(2R,3R,11bS)-;Alangicine;Emetan-6′,9-diol,1′,2′-didehydro-7′,10,11-trimethoxy-;2H-Benzo[a]quinolizine,emetan-6′,9-diol deriv.;(2R,3R,11bS)-2-[(3,4-Dihydro-6-hydroxy-7-methoxy-1-isoquinolinyl)methyl]-3-ethyl-1,3,4,6,7,11b-hexahydro-9,10-dimethoxy-2H-benzo[a]quinolizin-8-ol
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CAS No:
Description
ChEBI: An isoquinoline alkaloid that is 1',2'-didehydroemetan bearing two hydroxy substituents at positions 6' and 9 as well as three methoxy substituents at positions 7', 10 and 11.
Alangicine is an isoquinoline alkaloid that is 1',2'-didehydroemetan bearing two hydroxy substituents at positions 6' and 9 as well as three methoxy substituents at positions 7', 10 and 11. It has a role as a plant metabolite. It is an isoquinoline alkaloid, a member of isoquinolines, a pyridoisoquinoline, a polyphenol and an aromatic ether. It derives from a hydride of an emetan.
(2R,3R,11bS)-2-[(3,4-Dihydro-6-hydroxy-7-methoxy-1-isoquinolinyl)methyl]-3-ethyl-1,3,4,6,7,11b-hexahydro-9,10-dimethoxy-2H-benzo[a]quinolizin-8-ol Basic Attributes
480.59584
480.60
DTXSID40420086
Computed Properties
Molecular Weight:480.6
XLogP3:3.9
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:6
Exact Mass:480.26242225
Monoisotopic Mass:480.26242225
Topological Polar Surface Area:83.8
Heavy Atom Count:35
Complexity:749
Defined Atom Stereocenter Count:3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
(2R,3R,11bS)-2-[(3,4-Dihydro-6-hydroxy-7-methoxy-1-isoquinolinyl)methyl]-3-ethyl-1,3,4,6,7,11b-hexahydro-9,10-dimethoxy-2H-benzo[a]quinolizin-8-ol
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