Cas no 175702-01-9 ((E,E)-4,4''-Bi(N-4-hydroxycinnamoylserotonin))
175702-01-9 structure
Product Name:(E,E)-4,4''-Bi(N-4-hydroxycinnamoylserotonin)
CAS No:175702-01-9
MF:C38H34N4O6
MW:642.699769496918
CID:6644109
PubChem ID:11764751
Update Time:2024-02-05
(E,E)-4,4''-Bi(N-4-hydroxycinnamoylserotonin) Chemical and Physical Properties
Names and Identifiers
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- 175702-01-9
- DTXSID801106158
- (E)-N-[2-[5-hydroxy-4-[5-hydroxy-3-[2-[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]amino]ethyl]-1H-indol-4-yl]-1H-indol-3-yl]ethyl]-3-(4-hydroxyphenyl)prop-2-enamide
- (2E,2'E)-N,N'-[(5,5'-Dihydroxy[4,4'-bi-1H-indole]-3,3'-diyl)di-2,1-ethanediyl]bis[3-(4-hydroxyphenyl)-2-propenamide]
- CHEMBL4210833
- CHEBI:192316
- (2E)-N-{2-[5-hydroxy-4-(5-hydroxy-3-{2-[(2E)-3-(4-hydroxyphenyl)prop-2-enamido]ethyl}-1H-indol-4-yl)-1H-indol-3-yl]ethyl}-3-(4-hydroxyphenyl)prop-2-enamide
- (E,E)-4,4''-Bi(N-4-hydroxycinnamoylserotonin)
-
- Inchi： 1S/C38H34N4O6/c43-27-7-1-23(2-8-27)5-15-33(47)39-19-17-25-21-41-29-11-13-31(45)37(35(25)29)38-32(46)14-12-30-36(38)26(22-42-30)18-20-40-34(48)16-6-24-3-9-28(44)10-4-24/h1-16,21-22,41-46H,17-20H2,(H,39,47)(H,40,48)/b15-5+,16-6+
- InChI Key： OIUNULHHOJRJBI-IAGONARPSA-N
- SMILES： OC1C=CC2=C(C(=CN2)CCNC(/C=C/C2C=CC(=CC=2)O)=O)C=1C1=C(C=CC2=C1C(=CN2)CCNC(/C=C/C1C=CC(=CC=1)O)=O)O
Computed Properties
- Exact Mass: 642.24783482g/mol
- Monoisotopic Mass: 642.24783482g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 8
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 48
- Rotatable Bond Count: 11
- Complexity: 1030
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 2
- Undefined Bond Stereocenter Count: 0
- XLogP3: 5.7
- Topological Polar Surface Area: 171?2
(E,E)-4,4''-Bi(N-4-hydroxycinnamoylserotonin) Related Literature
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Brindha J.,Balamurali M. M.,Kaushik Chanda RSC Adv., 2019,9, 34720-34734
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
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Yiding Jiao,Liqun Kang,Jasper Berry-Gair,Kit McColl,Jianwei Li,Haobo Dong,Hao Jiang,Ryan Wang,Furio Corà,Dan J. L. Brett,Ivan P. Parkin J. Mater. Chem. A, 2020,8, 22075-22082
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