(3R,5R)-1-(4-Hydroxy-3-methoxyphenyl)-7-(3,4-dihydroxyphenyl)heptane-3,5-diol

PubChem CID: 11142982

Connections displayed (default: 10).

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Compound Synonyms	CHEMBL464562, AKOS040763432, (3R,5R)-1-(4-Hydroxy-3-methoxyphenyl)-7-(3,4-dihydroxyphenyl)heptane-3,5-diol, 408324-13-0
Topological Polar Surface Area	110.0
Hydrogen Bond Donor Count	5.0
Heavy Atom Count	26.0
Isotope Atom Count	0.0
Molecular Complexity	392.0
Database Name	cmaup_ingredients;npass_chem_all;pubchem
Defined Atom Stereocenter Count	2.0
Iupac Name	4-[(3R,5R)-3,5-dihydroxy-7-(4-hydroxy-3-methoxyphenyl)heptyl]benzene-1,2-diol
Prediction Hob	1.0
Xlogp	2.9
Molecular Formula	C20H26O6
Prediction Swissadme	0.0
Inchi Key	RIDWNCYOYKOUAC-HZPDHXFCSA-N
Fcsp3	0.4
Logs	-3.372
Rotatable Bond Count	9.0
Logd	2.007
Compound Name	(3R,5R)-1-(4-Hydroxy-3-methoxyphenyl)-7-(3,4-dihydroxyphenyl)heptane-3,5-diol
Prediction Hob Swissadme	0.0
Exact Mass	362.173
Formal Charge	0.0
Monoisotopic Mass	362.173
Hydrogen Bond Acceptor Count	6.0
Molecular Weight	362.4
Covalent Unit Count	1.0
Total Atom Stereocenter Count	2.0
Total Bond Stereocenter Count	0.0
Esol	-3.6489548615384617
Inchi	InChI=1S/C20H26O6/c1-26-20-11-14(5-9-18(20)24)3-7-16(22)12-15(21)6-2-13-4-8-17(23)19(25)10-13/h4-5,8-11,15-16,21-25H,2-3,6-7,12H2,1H3/t15-,16-/m1/s1
Smiles	COC1=C(C=CC(=C1)CC[C@H](C[C@@H](CCC2=CC(=C(C=C2)O)O)O)O)O
Nring	2.0
Defined Bond Stereocenter Count	0.0

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9. Outgoing r'ship FOUND_IN to/from Curcuma Kwangsiensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
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62. Outgoing r'ship FOUND_IN to/from Tacca Chantrieri (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
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64. Outgoing r'ship FOUND_IN to/from Tacca Leontopetaloides (Plant) Rel Props:Reference:
65. Outgoing r'ship FOUND_IN to/from Tacca Plantaginea (Plant) Rel Props:Reference:

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(3R,5R)-1-(4-Hydroxy-3-methoxyphenyl)-7-(3,4-dihydroxyphenyl)heptane-3,5-diol

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Phytochemical Properties

Associated Connections 65

Plant Connections 65