Basic information
- CAS
19906-72-0- Standard SMILES
C=C1COC(=O)C12CC1CCCC(C)C1(C)C2- InChIKey
OVXAYHNZXBOVPV-UHFFFAOYSA-N- Molecular formula
- C15H22O2
- Average molar mass
- 234.33 g/mol
- Monoisotopic mass
- 234.16197994
Overview
Fukinanolide has been reported in Parmotrema hypoleucinum, Petasites japonicus, and Scandosorbus intermedia with data available.
Names & identifiers
- Preferred name
- Fukinanolide
- IUPAC
- 7,7a-dimethyl-4'-methylidenespiro[3,3a,4,5,6,7-hexahydro-1H-indene-2,3'-oxolane]-2'-one
- English name
- bakkenolide A
- Molecular formula
- C15H22O2
- Molecular weight
- 234.33
Names & synonyms
FUKINANOLIDE7,7a-dimethyl-4'-methylidenespiro[3,3a,4,5,6,7-hexahydro-1H-indene-2,3'-oxolane]-2'-oneMFCD10566620OVXAYHNZXBOVPV-UHFFFAOYSA-NSpiro[furan-3(2H),2'-[2H]inden]-2-one, decahydro-3'a,4'-dimethyl-4-methylene-, [2'R-(2'.alpha.,3'a.alpha.,4'.alpha.,7'a.alpha.)]-Spiro[furan-3(2H),2'-indan]-2-one, 3'a,4,4',5,5',6',7',7'a.beta.-octahydro-3'a.beta.,4'.beta.-dimethyl-4-methylene-, (2'R)-NSC292655s9554NS000678877,7a-dimethyl-4'-methylene-spiro[3,3a,4,5,6,7-hexahydro-1H-indene-2,3'-tetrahydrofuran]-2'-oneSpiro[furan-3(2H), 3'a,4,4',5,5',6',7',7'a.beta.-octahydro-3'a.beta.,4'.beta.-dimethyl-4-methylene-, (2'R)-Spiro[furan-3(2H), decahydro-3'a,4'-dimethyl-4-methylene-, [2'R-(2'.alpha.,3'a.alpha.,4'.alpha.,7'a.alpha.)]-
Show more names
Nsc 292655FukinanolidBakkenolid abakkenolide A(3R,3'aR,7'aβ)-3'aβ,4'β-Dimethyl-4-methylenespiro[oxolane-3,2'-hydrindane]-2-one(2'R,3'aR,4'S,7'aR)-Decahydro-3'a,4'-dimethyl-4-methylenespiro[furan-3(2H),2'-[2H]inden]-2-one
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 386
Physicochemical properties
- Melting point
- 80 · 80-81℃
- Density
- 1.06 · 1.06
- solubility
- Soluble in Chloroform,Dichloromethane,Ethyl Acetate,DMSO,Acetone,etc.
- form
- Cryst.
- color
- White to off-white
- FDA UNII
- 86 ZPP5FMQ · T86ZPP5FMQ
Chemistry & industry
Applications
UsesBakkenolide A is a natural product extracted from Petasites tricholobus. Bakkenolide A inhibits leukemia by regulation of HDAC3 and PI3K/Akt-related signaling pathways[1].
Suppliers49 total
南通飞宇生物科技有限公司0513-68819626 15152877458 · [email protected]
上海纯优生物科技有限公司15921393123 18302135232 · [email protected]
上海哲研生物科技有限公司021-18017610038 18017610038 · [email protected]
成都健腾生物技术有限公司028-85159085 18080455027 · [email protected]
武汉众志诚生物技术有限公司13628624121 13628604890 · [email protected]
Aladdin Scientific[email protected]
Nantong HI-FUTURE Biology Co., Ltd.+86-18051384581 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
成都普菲德生物技术有限公司028-82610909 13388174823 · [email protected]
佛山宝诺生物科技有限公司0757-85921206 18520245316 · [email protected]
贵州迪大科技有限责任公司0851-8475-2296 18096062265 · [email protected]
上海倍卓生物科技有限公司021-61119791,13386096464 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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