Basic information
- CAS
70588-06-6- Standard SMILES
COc1cc2c(c(OC)c1OC)C(=O)c1c(cc(C)c(O)c1OC)C2=O- InChIKey
ZMDXTRSTKHTSCE-UHFFFAOYSA-N- Molecular formula
- C19H18O7
- Average molar mass
- 358.3 g/mol
- Monoisotopic mass
- 358.10525291
Overview
Chryso-obtusin is a monohydroxyanthraquinone.
Names & identifiers
- Preferred name
- Chrysoobtusin
- IUPAC
- 2-hydroxy-1,6,7,8-tetramethoxy-3-methylanthracene-9,10-dione
- English name
- Chrysoobtusin
- Molecular formula
- C19H18O7
- Molecular weight
- 358.34
Names & synonyms
Chrysoobtusin70588-06-62-hydroxy-1,6,7,8-tetramethoxy-3-methylanthracene-9,10-dione9,10-Anthracenedione, 2-hydroxy-1,6,7,8-tetramethoxy-3-methyl-DTXSID302208702-HYDROXY-1,6,7,8-TETRAMETHOXY-3-METHYL-9,10-DIHYDROANTHRACENE-9,10-DIONERefChem:1081564DTXCID60143361Chryso-obtusinCHEBI:812632-hydroxy-1,6,7,8-tetramethoxy-3-methylanthraquinoneMFCD22124993
Show more names
Chrysoobtusin, 10 mM in DMSO2-Hydroxy-1,6,7,8-tetramethoxy-3-methyl-9,10-anthraquinone
CHEMBL461085orb1299088SCHEMBL16226057BDBM50133044AKOS016010638EBC-617631AS-83240DA-51883
Database identifiers
- CAS
70588-06-6- PubChem CID
- 155381
- DTXSID
DTXSID30220870- ChEMBL
CHEMBL461085- ChEBI
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 91.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 550
Experimental & physicochemical properties
Melting Point219 - 220 °C
Physical DescriptionSolid
Physicochemical properties
- Melting point
- 215 · 215-216℃
- Density
- 1.328 · 1.328±0.06 g/cm3 (20 ºC 760 Torr)
- storage temp.
- 2 · 2-8°C(protect from light)
- form
- Solid
- color
- White to yellow
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Pharmacology
Cellular LocationsCytoplasm
Applications
UsesChrysoobtusin is an anthraquinone derivative isolated from Semen Cassiae. Semen Cassiae has long been used to protect liver, brighten eyes, and relieve constipation[1][2].
Upstream & downstream products
Upstream raw materials
Suppliers88 total
陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
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]
成都乐美天医药科技有限公司17308096051 17308096051 · [email protected]
成都曼思特生物科技有限公司18010516991 · [email protected]
南京普怡生物科技有限公司13814510036 · [email protected]
上海纯优生物科技有限公司15921393123 18302135232 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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