Basic information
- CAS
119425-89-7- Standard SMILES
COc1ccc(CCC(=O)c2ccc(O)cc2)c(OC)c1- InChIKey
RSAIVLRELNGZEY-UHFFFAOYSA-N- Molecular formula
- C17H18O4
- Average molar mass
- 286.32 g/mol
- Monoisotopic mass
- 286.12050905
Overview
Loureirin A has been reported in Dracaena cochinchinensis, Soymida febrifuga, and Garcinia dulcis with data available.
Names & identifiers
- Preferred name
- Loureirin A
- IUPAC
- 3-(2,4-dimethoxyphenyl)-1-(4-hydroxyphenyl)propan-1-one
- English name
- Loureirin A
- Molecular formula
- C17H18O4
- Molecular weight
- 286.32
Names & synonyms
Loureirin A119425-89-73-(2,4-dimethoxyphenyl)-1-(4-hydroxyphenyl)propan-1-oneDTXSID201318286RefChem:154136DTXCID401748100LoureirinAMFCD10566607SCHEMBL7187176HY-N1505s3241ZB1869
Show more names
ColouringALoureirin A, 10 mM in DMSO3-(2,4-Dimethoxyphenyl)-1-(4-hydroxyphenyl)-1-propanone1-Propanone, 3-(2,4-dimethoxyphenyl)-1-(4-hydroxyphenyl)-Loureirin A, 98%, from Dracaena cochinchinensis (Lour.) S. C. Chen
AKOS030573608CS-7883AC-34430AS-78728Loureirin A (Standard)Loureirin A [M+H]+FT-0715269CHEMBL253779
Database identifiers
- CAS
119425-89-7- PubChem CID
- 5319081
- DTXSID
DTXSID201318286- ChEMBL
CHEMBL253779- Nikkaji
- J2.538.191B
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 55.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 323
Experimental & physicochemical properties
LipidsPolyketides [PK] -> Flavonoids [PK12] -> Chalcones and dihydrochalcones [PK1212]
Physicochemical properties
- Boiling point
- 479.1 · 479.1±40.0 °C(Predicted)
- Density
- 1.17 · 1.170
- storage temp.
- -20 °C · Store at -20°C
- solubility
- 86.6 mg/mL · DMSO : ≥ 86.6 mg/mL (302.46 mM)
- pka
- 8.08 · 8.08±0.15(Predicted)
- form
- Solid
- color
- White to off-white
- InChI
- InChI=1S/C17H18O4/c1-20-15-9-5-13(17(11-15)21-2)6-10-16(19)12-3-7-14(18)8-4-12/h3-5,7-9,11,18H,6,10H2,1-2H3
- InChIKey
- RSAIVLRELNGZEY-UHFFFAOYSA-N
- SMILES
- C(C1=CC=C(O)C=C1)(=O)CCC1=CC=C(OC)C=C1OC
- UNSPSC Code
- 41116107 · 41116107
- NACRES
- 24 · NA.24
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
- wgk
- WGK 3
- hs_code
- 29145090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 24/25
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H315-H319
- Precautionary statements
- P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
Chemistry & industry
Applications
UsesLoureirin A is a component of traditional Chinese medicine which helps combat neurodegenerative diseases. Extracted from the red resin of Dracaena cochinchinensis S.C Chen, known as Dragon’s Blood.
Suppliers100 total
南京世洲生物科技有限公司025-85560043 15850508050 · [email protected]
成都普瑞法科技开发有限公司+86-028-82633397 18982077548 · [email protected]
南通飞宇生物科技有限公司0513-68819626 15152877458 · [email protected]
銘瑞集團有限公司17318633522 · [email protected]
成都乐美天医药科技有限公司17308096051 17308096051 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
成都彼样生物科技有限公司18108052721 · [email protected]
合肥翰刚医药科技有限公司+8618062405514 · [email protected]
上海哲研生物科技有限公司021-18017610038 18017610038 · [email protected]
河南赢创生物科技有限公司16650615803 · [email protected]
成都市久鼎化学技术有限公司18584079237 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
Related reactions
3 records
Compound notes
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