Cas no 6432-69-5 ((+)-heraclenin)
(+)-heraclenin structure
Product Name:(+)-heraclenin
CAS No:6432-69-5
MF:C16H14O5
MW:286.279365062714
CID:1998374
Update Time:2025-04-21
(+)-heraclenin Chemical and Physical Properties
Names and Identifiers
-
- (+)-heraclenin
- heraclenin
- heraklenin
- Oxyimperatorin
- prangenin
- 9-[[(S)-3,3-Dimethyloxiran-2-yl]methoxy]-7H-furo[3,2-g][1]benzopyran-7-one
-
- Inchi： 1S/C16H14O5/c1-16(2)11(21-16)8-19-15-13-10(5-6-18-13)7-9-3-4-12(17)20-14(9)15/h3-7,11H,8H2,1-2H3
- InChI Key： CTJZWFCPUDPLME-UHFFFAOYSA-N
- SMILES： CC1(C(COC2C3=C(C=CC(O3)=O)C=C3C=2OC=C3)O1)C
Computed Properties
- Exact Mass: 286.084
- Monoisotopic Mass: 286.084
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 21
- Rotatable Bond Count: 3
- Complexity: 471
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 1
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.2
- Topological Polar Surface Area: 61.2A^2
(+)-heraclenin Related Literature
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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
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M. Zeiger,N. J?ckel,P. Strubel,L. Borchardt,R. Reinhold,W. Nickel,J. Eckert,V. Presser,S. Kaskel J. Mater. Chem. A, 2015,3, 17983-17990
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Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
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Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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