CAS 6871-21-2 | Asimilobine | CAS Number 6871-21-2

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6871-21-2 | Asimilobine

CAS No: 6871-21-2 Catalog No: AG003618 MDL No:

Product Description

Catalog Number:

AG003618

Chemical Name:

Asimilobine

CAS Number:

6871-21-2

Molecular Formula:

C17H17NO2

Molecular Weight:

267.3224

IUPAC Name:

(6aR)-1-methoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-2-ol

InChI:

InChI=1S/C17H17NO2/c1-20-17-14(19)9-11-6-7-18-13-8-10-4-2-3-5-12(10)16(17)15(11)13/h2-5,9,13,18-19H,6-8H2,1H3/t13-/m1/s1

InChI Key:

NBDNEUOVIJYCGZ-CYBMUJFWSA-N

SMILES:

COc1c(O)cc2c3c1c1ccccc1C[C@H]3NCC2

Properties

Complexity:

361

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

267.126g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

267.328g/mol

Monoisotopic Mass:

267.126g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

41.5A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.6

Literature

Title	Journal
[Five alkaloids from vine stems of Diploclisia affinis].	Zhongguo Zhong yao za zhi = Zhongguo zhongyao zazhi = China journal of Chinese materia medica 20081101
Effects of asimilobine on dopamine biosynthesis and l-DOPA-induced cytotoxicity in PC12 cells.	Journal of Asian natural products research 20080101
Taspine: bioactivity-guided isolation and molecular ligand-target insight of a potent acetylcholinesterase inhibitor from Magnolia x soulangiana.	Journal of natural products 20060901