Threo-1-(4-hydroxy-3-methoxyphenyl)-2-(4-(3-hydroxypropyl)-2-methoxyphenoxy)-1,3-propanediol

PubChem CID: 13893598

Connections displayed (default: 10).

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Compound Synonyms	3X9Q9XA8J6, 135820-78-9, UNII-3X9Q9XA8J6, Threo-1-(4-hydroxy-3-methoxyphenyl)-2-(4-(3-hydroxypropyl)-2-methoxyphenoxy)-1,3-propanediol, CHEBI:69672, (7R,7R)-4,7,9,9'-tetrahydroxy-3,3'-dimethoxy-8-O-4'-neolignan, 1,3-Propanediol, 1-(4-hydroxy-3-methoxyphenyl)-2-(4-(3-hydroxypropyl)-2-methoxyphenoxy)-, (1R,2R)-rel-, 1,3-Propanediol, 1-(4-hydroxy-3-methoxyphenyl)-2-(4-(3-hydroxypropyl)-2-methoxyphenoxy)-, (R,R)-, Threo-guaiacylglycerol-beta-O-4'-dihydroconiferyl alcohol, 1,3-Propanediol, 1-(4-hydroxy-3-methoxyphenyl)-2-[4-(3-hydroxypropyl)-2-methoxyphenoxy]-, (1R,2R)-rel-, CHEMBL1760591, SCHEMBL10034077, Q27138013, THREO-GUAIACYLGLYCEROL-.BETA.-O-4'-DIHYDROCONIFERYL ALCOHOL, (1R,2R)-1-(4-hydroxy-3-methoxyphenyl)-2-[4-(3-hydroxypropyl)-2-methoxyphenoxy]propane-1,3-diol
Topological Polar Surface Area	109.0
Hydrogen Bond Donor Count	4.0
Heavy Atom Count	27.0
Isotope Atom Count	0.0
Molecular Complexity	408.0
Database Name	cmaup_ingredients;npass_chem_all;pubchem
Defined Atom Stereocenter Count	2.0
Iupac Name	(1R,2R)-1-(4-hydroxy-3-methoxyphenyl)-2-[4-(3-hydroxypropyl)-2-methoxyphenoxy]propane-1,3-diol
Prediction Hob	1.0
Xlogp	1.6
Molecular Formula	C20H26O7
Prediction Swissadme	0.0
Inchi Key	DBIKJXXBCAHHMC-WOJBJXKFSA-N
Fcsp3	0.4
Logs	-2.533
Rotatable Bond Count	10.0
Logd	1.527
Compound Name	Threo-1-(4-hydroxy-3-methoxyphenyl)-2-(4-(3-hydroxypropyl)-2-methoxyphenoxy)-1,3-propanediol
Prediction Hob Swissadme	0.0
Exact Mass	378.168
Formal Charge	0.0
Monoisotopic Mass	378.168
Hydrogen Bond Acceptor Count	7.0
Molecular Weight	378.4
Covalent Unit Count	1.0
Total Atom Stereocenter Count	2.0
Total Bond Stereocenter Count	0.0
Esol	-2.8882990888888895
Inchi	InChI=1S/C20H26O7/c1-25-17-11-14(6-7-15(17)23)20(24)19(12-22)27-16-8-5-13(4-3-9-21)10-18(16)26-2/h5-8,10-11,19-24H,3-4,9,12H2,1-2H3/t19-,20-/m1/s1
Smiles	COC1=C(C=CC(=C1)CCCO)O[C@H](CO)[C@@H](C2=CC(=C(C=C2)O)OC)O
Nring	2.0
Defined Bond Stereocenter Count	0.0

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2. Outgoing r'ship FOUND_IN to/from Acorus Calamus (Plant) Rel Props:Reference:
3. Outgoing r'ship FOUND_IN to/from Acorus Calus (Plant) Rel Props:Reference:
4. Outgoing r'ship FOUND_IN to/from Acorus Gramineus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
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30. Outgoing r'ship FOUND_IN to/from Berberis Koreana (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
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62. Outgoing r'ship FOUND_IN to/from Euonymus Europaeus (Plant) Rel Props:Reference:
63. Outgoing r'ship FOUND_IN to/from Euonymus Fortunei (Plant) Rel Props:Reference:
64. Outgoing r'ship FOUND_IN to/from Euonymus Grandiflorus (Plant) Rel Props:Reference:
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69. Outgoing r'ship FOUND_IN to/from Euonymus Lucidus (Plant) Rel Props:Reference:
70. Outgoing r'ship FOUND_IN to/from Euonymus Maackii (Plant) Rel Props:Reference:
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74. Outgoing r'ship FOUND_IN to/from Euonymus Pendulus (Plant) Rel Props:Reference:
75. Outgoing r'ship FOUND_IN to/from Euonymus Sachalinensis (Plant) Rel Props:Reference:
76. Outgoing r'ship FOUND_IN to/from Euonymus Seeratifolius (Plant) Rel Props:Reference:
77. Outgoing r'ship FOUND_IN to/from Euonymus Tingens (Plant) Rel Props:Reference:
78. Outgoing r'ship FOUND_IN to/from Forsythia Koreana (Plant) Rel Props:Reference:
79. Outgoing r'ship FOUND_IN to/from Populus Koreana (Plant) Rel Props:Reference:
80. Outgoing r'ship FOUND_IN to/from Tribulus Alatus (Plant) Rel Props:Reference:

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Threo-1-(4-hydroxy-3-methoxyphenyl)-2-(4-(3-hydroxypropyl)-2-methoxyphenoxy)-1,3-propanediol

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Phytochemical Properties

Associated Connections 80

Plant Connections 80