(2R)-3-(3,4-dihydroxyphenyl)-2-[3-(3,4-dihydroxyphenyl)-1-oxoprop-2-enoxy]propanoic acid

PubChem CID: 65035

Connections displayed (default: 10).

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Compound Synonyms	NPLC0542, CHEMBL2111558, AKOS030228341, SMP1_000245, Q27164112, (2R)-3-(3,4-dihydroxyphenyl)-2-[3-(3,4-dihydroxyphenyl)-1-oxoprop-2-enoxy]propanoic acid
Topological Polar Surface Area	145.0
Hydrogen Bond Donor Count	5.0
Heavy Atom Count	26.0
Isotope Atom Count	0.0
Molecular Complexity	519.0
Database Name	cmaup_ingredients;npass_chem_all;pubchem
Defined Atom Stereocenter Count	1.0
Iupac Name	(2R)-3-(3,4-dihydroxyphenyl)-2-[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]propanoic acid
Prediction Hob	0.0
Xlogp	2.4
Molecular Formula	C18H16O8
Prediction Swissadme	0.0
Inchi Key	DOUMFZQKYFQNTF-MRXNPFEDSA-N
Fcsp3	0.1111111111111111
Logs	-2.432
Rotatable Bond Count	7.0
Logd	1.65
Compound Name	(2R)-3-(3,4-dihydroxyphenyl)-2-[3-(3,4-dihydroxyphenyl)-1-oxoprop-2-enoxy]propanoic acid
Prediction Hob Swissadme	0.0
Exact Mass	360.085
Formal Charge	0.0
Monoisotopic Mass	360.085
Hydrogen Bond Acceptor Count	8.0
Molecular Weight	360.3
Covalent Unit Count	1.0
Total Atom Stereocenter Count	1.0
Total Bond Stereocenter Count	1.0
Esol	-3.440310061538462
Inchi	InChI=1S/C18H16O8/c19-12-4-1-10(7-14(12)21)3-6-17(23)26-16(18(24)25)9-11-2-5-13(20)15(22)8-11/h1-8,16,19-22H,9H2,(H,24,25)/t16-/m1/s1
Smiles	C1=CC(=C(C=C1C[C@H](C(=O)O)OC(=O)C=CC2=CC(=C(C=C2)O)O)O)O
Nring	2.0
Defined Bond Stereocenter Count	0.0

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21. Outgoing r'ship FOUND_IN to/from Achillea Sibirica (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
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37. Outgoing r'ship FOUND_IN to/from Melilotus Indicum (Plant) Rel Props:Reference:
38. Outgoing r'ship FOUND_IN to/from Melilotus Indicus (Plant) Rel Props:Source_db:npass_chem_all
39. Outgoing r'ship FOUND_IN to/from Melilotus Messanensis (Plant) Rel Props:Reference:
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53. Outgoing r'ship FOUND_IN to/from Tamarindus Indicus (Plant) Rel Props:Reference:
54. Outgoing r'ship FOUND_IN to/from Vepris Punctata (Plant) Rel Props:Reference:

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(2R)-3-(3,4-dihydroxyphenyl)-2-[3-(3,4-dihydroxyphenyl)-1-oxoprop-2-enoxy]propanoic acid

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Phytochemical Properties

Associated Connections 54

Plant Connections 54