Pongamol

Synopsis, Chemistry

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Also known as: 484-33-3, Lanceolatin c, 1-(4-methoxy-1-benzofuran-5-yl)-3-phenylpropane-1,3-dione, 8y19qcy6i4, 1-(4-methoxy-benzofuran-5-yl)-3-phenyl-propane-1,3-dione, 1-(4-methoxybenzofuran-5-yl)-3-phenylpropane-1,3-dione

Molecular Formula

C₁₈H₁₄O₄

Molecular Weight

294.3 g/mol

InChI Key

XTLSKKJNOIMMBK-UHFFFAOYSA-N

FDA UNII

8Y19QCY6I4

pongamol is a natural product found in Derris ovalifolia, Millettia peguensis, and other organisms with data available.

1 2D Structure

Pongamol

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

1-(4-methoxy-1-benzofuran-5-yl)-3-phenylpropane-1,3-dione

2.1.2 InChI

InChI=1S/C18H14O4/c1-21-18-13(7-8-17-14(18)9-10-22-17)16(20)11-15(19)12-5-3-2-4-6-12/h2-10H,11H2,1H3

2.1.3 InChI Key

XTLSKKJNOIMMBK-UHFFFAOYSA-N

2.1.4 Canonical SMILES

COC1=C(C=CC2=C1C=CO2)C(=O)CC(=O)C3=CC=CC=C3

2.2 Other Identifiers

2.2.1 UNII

8Y19QCY6I4

2.3 Synonyms

2.3.1 MeSH Synonyms

1. Pongamol

2.3.2 Depositor-Supplied Synonyms

1. 484-33-3

2. Lanceolatin C

3. 1-(4-methoxy-1-benzofuran-5-yl)-3-phenylpropane-1,3-dione

4. 8y19qcy6i4

5. 1-(4-methoxy-benzofuran-5-yl)-3-phenyl-propane-1,3-dione

6. 1-(4-methoxybenzofuran-5-yl)-3-phenylpropane-1,3-dione

7. Bidd:er0486

8. Starbld0009680

9. Pongamol [inci]

10. Unii-8y19qcy6i4

11. Schembl900826

12. Chembl4285296

13. 1-(4-methoxy-5-benzofuranyl)-3-phenyl-1,3-propanedione

14. Dtxsid50351019

15. Lmpk12120373

16. Zinc95615313

17. Ft-0632198

18. P2790

19. Ec 414-540-3

20. A827534

21. A1-00787

22. Q27271185

2.4 Create Date

2005-07-07

3 Chemical and Physical Properties

Molecular Formula	C₁₈H₁₄O₄
Molecular Weight	294.3 g/mol
XLogP3	3.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	5
Exact Mass	294.08920892 g/mol
Monoisotopic Mass	294.08920892 g/mol
Topological Polar Surface Area	56.5 Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	413
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1