Basic information
- CAS
473-08-5- Standard SMILES
C=C(C)[C@@H]1CC[C@@]2(C)CCC(=O)C(C)=C2C1- InChIKey
KUFXJZXMWHNCEH-DOMZBBRYSA-N- Molecular formula
- C15H22O
- Average molar mass
- 218.33 g/mol
- Monoisotopic mass
- 218.16706532
Overview
alpha-Cyperone has been reported in Swertia japonica, Artemisia herba-alba, and other organisms with data available.
Names & identifiers
- Preferred name
- (+)-alpha-Cyperone
- IUPAC
- (4aS,7R)-1,4a-dimethyl-7-prop-1-en-2-yl-3,4,5,6,7,8-hexahydronaphthalen-2-one
- English name
- alpha-Cyperone
- Molecular formula
- C15H22O
- Molecular weight
- 218.33
Names & synonyms
alpha-Cyperone473-08-5(+)-alpha-Cyperone(4aS,7R)-1,4a-dimethyl-7-prop-1-en-2-yl-3,4,5,6,7,8-hexahydronaphthalen-2-oneZL24SG1C2D(4aS-cis)-4,4a,5,6,7,8-Hexahydro-1,4a-dimethyl-7-(1-methylethenyl)-2(3H)-naphthalenoneDTXSID60197086RefChem:905446DTXCID70119577Eudesma-4,11-dien-3-oneMFCD09839027(+)-a-Cyperone
Show more names
α-cyperoneα-Cyperone(+)-α-Cyperoneα-cyperonCyperone, α-
(4aS,7R)-1,4a-Dimethyl-7-(prop-1-en-2-yl)-4,4a,5,6,7,8-hexahydronaphthalen-2(3H)-one2(3H)-Naphthalenone,4,4a,5,6,7,8-hexahydro-1,4a-dimethyl-7-(1-methylethenyl)-, (4aS,7R)-.alpha.-Cyperonealpha Cyperonea-Cyperone4,11-Selinadien-3-oneUNII-ZL24SG1C2D| cent-Cyperone
Database identifiers
- CAS
473-08-5- PubChem CID
- 6452086
- DTXSID
DTXSID60197086- ChEMBL
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 375
Physicochemical properties
- Melting point
- 232 °C · 232 °C
- Boiling point
- 177 °C · 177 °C(Press: 20 Torr)
- Density
- 0.9946 g/cm3 · 0.9946 g/cm3(Temp: 25 °C)
- Flash point
- Not applicable
- storage temp.
- -20 °C · Sealed in dry,Store in freezer, under -20°C
- solubility
- Chloroform (Slightly), Methanol (Slightly)
- form
- Oil
- color
- Colourless to Pale Yellow
- Major Application
- food and beverages
- InChI
- InChI=1S/C15H22O/c1-10(2)12-5-7-15(4)8-6-14(16)11(3)13(15)9-12/h12H,1,5-9H2,2-4H3/t12-,15+/m1/s1
- InChIKey
- KUFXJZXMWHNCEH-DOMZBBRYSA-N
- SMILES
- C1(C)=C2[C@@](C)(CC[C@@H](C(C)=C)C2)CCC1=O
- LogP
- 4.22 · 4.220 (est)
- FDA UNII
- 24 SG1C2D · ZL24SG1C2D
- UNSPSC Code
- 41116107 · 41116107
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
- 29143990
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 24/25
- Storage Class
- 10 - Combustible liquids
- Hazard statements
- H315-H319
- Precautionary statements
- P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
Chemistry & industry
Applications
Uses(+)-α-Cyperone is used as an anti-inflammatory agent, isolated from the rhizomes of Cyperus rotundus.
Suppliers100 total
北京华美互利生物化工010-56205725 · [email protected]
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
成都普瑞法科技开发有限公司+86-028-82633397 18982077548 · [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]
合肥翰刚医药科技有限公司+8618062405514 · [email protected]
广州隽沐生物科技股份有限公司020-36607679; 13502246435 · [email protected]
成都市久鼎化学技术有限公司18584079237 · [email protected]
云南西力生物技术股份有限公司0871-65217109 · [email protected]
上海如吉生物科技发展有限公司+86-21-65211385-8001 36031160 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
上海晶抗生物工程有限公司021-54721350 13524668266 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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