(+)-Corydaline
Basic information
- CAS
518-69-4- Standard SMILES
COc1cc2c(cc1OC)[C@H]1[C@@H](C)c3ccc(OC)c(OC)c3CN1CC2- InChIKey
VRSRXLJTYQVOHC-YEJXKQKISA-N- Molecular formula
- C22H27NO4
- Average molar mass
- 369.5 g/mol
- Monoisotopic mass
- 369.19400834
Overview
Corydaline is an isoquinoline alkaloid and a member of isoquinolines.
Names & identifiers
- Preferred name
- (+)-Corydaline
- IUPAC
- (13S,13aR)-2,3,9,10-tetramethoxy-13-methyl-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline
- English name
- Corydaline
- Molecular formula
- C22H27NO4
- Molecular weight
- 369.45
Names & synonyms
Corydaline518-69-4(+)-Corydaline08N392L8VX(13S,13aR)-2,3,9,10-tetramethoxy-13-methyl-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinolineCHEBI:14027DTXSID901997352,3,9,10-tetramethoxy-13beta-methyl-13abeta-berbineNSC-4060366H-DIBENZO(A,G)QUINOLIZINE, 5,8,13,13A-TETRAHYDRO-2,3,9,10-TETRAMETHOXY-13-METHYL-, (13S,13AR)-(13S,13aR)-2,3,9,10-tetramethoxy-13-methyl-6,8,13,13a-tetrahydro-5H-isoquinolino(2,1-b)isoquinolineRefChem:905454
Show more names
corydalinCorydalis A(13s-e)-thyl(+) CORYDALINEYuanhu extractCorydaline std.CORYDALINE, (+)(+)- Corydaline
DTXCID501222262,3,9,10-Tetramethoxy-13a-methyl-13ab-berbined-Corydaline(+/-)-CorydalineCorydaline, (+/-)-Corydaline DL-form [MI](+)CorydalineNSC-298182
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 40.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 503
Experimental & physicochemical properties
Endocrine DisruptorsPotential endocrine disrupting compound
Physicochemical properties
- Melting point
- 135 ° · 135°
- alpha
- 20 · D20 +311° (c = 0.8 in alc)
- Boiling point
- 499.57 °C · 499.57°C (rough estimate)
- Density
- 1.1771 · 1.1771 (rough estimate)
- refractive index
- 1.5614 · 1.5614 (estimate)
- storage temp.
- 2 · 2-8°C(protect from light)
- solubility
- Chloroform (Slightly), Methanol (Slightly, Sonicated)
- form
- Solid
- pka
- 6.57 · 6.57±0.40(Predicted)
- color
- White to Off-White
- InChI
- InChI=1S/C22H27NO4/c1-13-15-6-7-18(24-2)22(27-5)17(15)12-23-9-8-14-10-19(25-3)20(26-4)11-16(14)21(13)23/h6-7,10-11,13,21H,8-9,12H2,1-5H3/t13-,21+/m0/s1
- InChIKey
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 2939799090
- Toxicity
- LD50 in mice (mg/kg): 135.5 ± 12.8 i.v. (Anderson, Chen)
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P271
Chemistry & industry
Pharmacology
MeSH Pharmacological ClassificationCompounds or agents that combine with an enzyme in such a manner as to prevent the normal substrate-enzyme combination and the catalytic reaction.
Applications
UsesCorydaline is a common herbal drug used in Chinese medicine and is touted as an analgesic with reported anti-angiogenic effects.
Upstream & downstream products
Downstream products
Additional notes
DefinitionChEBI: Corydaline is an isoquinoline alkaloid and a member of isoquinolines.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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