Basic information
- CAS
24939-16-0- Standard SMILES
O=C(/C=C/c1ccc(O)cc1)CC(=O)/C=C/c1ccc(O)cc1- InChIKey
PREBVFJICNPEKM-YDWXAUTNSA-N- Molecular formula
- C19H16O4
- Average molar mass
- 308.3 g/mol
- Monoisotopic mass
- 308.10485899
Overview
Bisdemethoxycurcumin is a beta-diketone that is methane in which two of the hydrogens are substituted by 4-hydroxycinnamoyl groups. It has a role as a metabolite and an EC 3.2.1.1 (alpha-amylase) inhibitor. It is a polyphenol, an enone, a beta-diketone and a diarylheptanoid. It is functionally related to a 4-coumaric acid.
Names & identifiers
- Preferred name
- Bisdemethoxycurcumin
- IUPAC
- (1E,6E)-1,7-bis(4-hydroxyphenyl)hepta-1,6-diene-3,5-dione
- English name
- Bisdemethoxycurcumin
- Molecular formula
- C19H16O4
- Molecular weight
- 308.32794
Names & synonyms
Bisdemethoxycurcumin33171-05-0Curcumin IIIDidemethoxycurcumin(1E,6E)-1,7-bis(4-hydroxyphenyl)hepta-1,6-diene-3,5-dionebisdesmethoxycurcuminBis-demethoxycurcuminBis(p-hydroxycinnamoyl)methane1,6-Heptadiene-3,5-dione, 1,7-bis(4-hydroxyphenyl)-DTXSID008726632EFO1BP34RCHEBI:71045
Show more names
bisdemethoxy-curcuminRefChem:569455DTXCID10820312607-464-924939-16-0Bisdemethoxycucurmin(E,E)-BisdemethoxycurcuminBis(4-hydroxycinnamoyl)methane
Database identifiers
- CAS
24939-16-0、33171-05-0- PubChem CID
- 5315472
- DTXSID
DTXSID00872663- ChEMBL
CHEMBL105350- ChEBI
CHEBI:71045- UNII
- 2EFO1BP34R
- EC Number
- 607-464-9、881-423-5
- Nikkaji
- J468.370F、J877.763B
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 74.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 408
Experimental & physicochemical properties
Endocrine DisruptorsPotential endocrine disrupting compound
Physical DescriptionSolid
Collision Cross Section176.1 Ų [M-H]- [CCS Type: DT; Buffer gas: N2; Ionization: ESI-; Dataset: TOXCAST; Source Identifier: DTXSID00872663]
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Not Classified
Hazard information
Hazard Classes and Categories
Skin Irrit. 2 (100%)
Not Classified
Chemistry & industry
Pharmacology
Metabolism/MetabolitesBisdemethoxycurcumin has known human metabolites that include Bisdemethoxycurcumin, 4-O-glucuronide.
Cellular LocationsMembrane
Suppliers100 total
成都普瑞法科技开发有限公司+86-028-82633397 18982077548 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
成都曼思特生物科技有限公司18010516991 · [email protected]
济南百隆化学有限公司[email protected] · [email protected]
南京普怡生物科技有限公司13814510036 · [email protected]
成都埃法生物科技有限公司028-028-85142057 19983342022 · [email protected]
成都健腾生物技术有限公司028-85159085 · [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]
大连美仑生物技术有限公司0411-62910999 13889544652 · [email protected]
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上海景颜化工科技有限公司13817811078 · [email protected]
MedChemexpress LLC021-58955995 · [email protected]
杭州东帆化学有限公司86-0571-85151182
Aktin Chemicals, Inc.028-85159085 · [email protected]
山东西亚化学有限公司13355009207 13355009207 · [email protected]
成都健腾生物技术有限公司86-28-85159085 · [email protected]
苏州永健生物医药有限公司0512-69561956 18015581618
上海源叶生物科技有限公司13636370518 · [email protected]
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雷丁试剂0510-85629785 18013409632 · [email protected]
上海肯恩化学科技有限公司13120367189;18621755571 · [email protected]
上海麦克林生化科技股份有限公司15221275939 15221275939 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
TargetMol中国（陶术生物）021-021-33632979 15002134094 · [email protected]
武汉天植生物技术有限公司18607101326 15172504745 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
BOC Sciences16314854226; +8616314854226 · [email protected]
资川生化科技(苏州)有限公司0512-66317708 13372112871 · [email protected]
Wuhan ChemNorm Biotech Co.,Ltd.+86-27-8439 4403 18971486879 · [email protected]
Alfa Chemistry+1-5166625404 · [email protected]
北京华威锐科化工科技有限公司89508211 18501085097 · [email protected]
广州市齐云生物技术有限公司020-61288194 61288195 · [email protected]
上海前衍生物科技有限公司02781293128 · [email protected]
湖北威德利化学试剂有限公司13429867250 13429867250
成都华纯科技有限公司400-1166-196 15982826727 · [email protected]
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上海依赫生物科技有限公司021-68882955 17721395025 · [email protected]
上海如吉生物科技发展有限公司021-69955236-807 13918189704 · [email protected]
Additional notes
DefinitionChEBI: Bisdemethoxycurcumin is a beta-diketone that is methane in which two of the hydrogens are substituted by 4-hydroxycinnamoyl groups. It has a role as a metabolite and an EC 3.2.1.1 (alpha-amylase) inhibitor. It is a beta-diketone, a polyphenol, an enone and a diarylheptanoid. It is functionally related to a 4-coumaric acid.
Related reactions
1 records
Compound notes
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