CAS 119425-90-0 Loureirin B (HCID 189670)

Substructure search Find similar structures

Basic information

CAS: 119425-90-0
Standard SMILES: COc1cc(OC)c(CCC(=O)c2ccc(O)cc2)c(OC)c1
InChIKey: ZPFRAPVRYLGYEC-UHFFFAOYSA-N
Molecular formula: C18H20O5
Average molar mass: 316.3 g/mol
Monoisotopic mass: 316.13107374

Overview

Loureirin B is a member of dihydrochalcones.

Names & identifiers

Preferred name: Loureirin B
IUPAC: 1-(4-hydroxyphenyl)-3-(2,4,6-trimethoxyphenyl)propan-1-one
English name: LOUREIRIN B
Molecular formula: C18H20O5
Molecular weight: 316.35

Names & synonyms

Loureirin B119425-90-01-(4-hydroxyphenyl)-3-(2,4,6-trimethoxyphenyl)propan-1-oneP47L69798ORefChem:154137LOUREIRIN-B1-Propanone, 1-(4-hydroxyphenyl)-3-(2,4,6-trimethoxyphenyl)-LR-BUNII-P47L69798OMFCD077814211-Propanone,1-(4-hydroxyphenyl)-3-(2,4,6-trimethoxyphenyl)Propan-1-one, 1-(4-hydroxyphenyl)-3-(2,4,6-trimethoxyphenyl)-

Show more names

ColouringBLoureirin B-RMcochinchinenin BLOUREIRIN B USP/EP/BPLoureirin B, 10 mM in DMSOLoureirin B, 98%, from Dracaena cochinchinensis (Lour.) S. C. Chen

Loureirin B (Standard)Loureirin B [M+H]+orb1222822orb1303625orb3140293SCHEMBL7193972HY-N1504RDTXSID30152460

Database identifiers

CAS: 119425-90-0
PubChem CID: 189670
DTXSID

Properties

Computed structural properties

XLogP: 3.1
Topological polar surface area: 65 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 5
Rotatable bonds: 7
Heavy atoms: 23
Formal charge: 0
Complexity: 350

Experimental & physicochemical properties

LipidsPolyketides [PK] -> Flavonoids [PK12] -> Chalcones and dihydrochalcones [PK1212]

Physicochemical properties

Boiling point: 509.9 · 509.9±50.0 °C(Predicted)
Density: 1.177 · 1.177±0.06 g/cm3(Predicted)
solubility: 30 mg/ml; · DMF: 30 mg/ml; DMSO: 30 mg/ml; DMSO:PBS (pH 7.2) (1:2): 0.33 mg/ml
pka: 8.06 · 8.06±0.15(Predicted)
form: powder
color: White
InChI: 1S/C18H20O5/c1-21-14-10-17(22-2)15(18(11-14)23-3)8-9-16(20)12-4-6-13(19)7-5-12/h4-7,10-11,19H,8-9H2,1-3H3
InChIKey: ZPFRAPVRYLGYEC-UHFFFAOYSA-N
SMILES: O(C)c1c(c(cc(c1)OC)OC)CCC(=O)c2ccc(cc2)O
FDA UNII: 47 L69798O · P47L69798O
UNSPSC Code: 41116107 · 41116107
NACRES: 24 · NA.24

Safety & regulation

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: H302-H315-H319-H335
Precautionary statements: P261-P280-P301+P312-P302+P352-P305+P351+P338

Chemistry & industry

Applications

UsesLoureirin B 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

北京华美互利生物化工010-56205725 · [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]

南京普怡生物科技有限公司13814510036 · [email protected]

成都超九八生物科技有限公司13348960310 13348960310 · [email protected]

Related reactions

0 records

New reaction record

No reaction records under the current filter.

Compound notes

Loading…