2-Geranyl-2',3,4,4'-tetrahydroxydihydrochalcone

PubChem CID: 6449829

Connections displayed (default: 10).

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Compound Synonyms	113866-89-0, 2-Geranyl-2',3,4,4'-tetrahydroxydihydrochalcone, AC-5-1, 3,4,2',4'-Tetrahydroxy-2-geranyldihydrochalcone, CHEMBL523392, 1-(2,4-dihydroxyphenyl)-3-[2-[(2E)-3,7-dimethylocta-2,6-dienyl]-3,4-dihydroxyphenyl]propan-1-one, 2-Geranyl-3,4,2',4'-tetrahydroxydihydrochalcone, 1-(2,4-Dihydroxyphenyl)-3-(2-(3,7-dimethylocta-2,6-dien-1-yl)-3,4-dihydroxyphenyl)propan-1-one, 118026-33-8, AC 5-1, starbld0031832, CHEBI:176022, DTXSID801114058, BDBM50260285, LMPK12120455, 1-(2,4-dihydroxyphenyl)-3-(2-(3,7-dimethylocta-2,6-dienyl)-3,4-dihydroxyphenyl)propan-1-one, 1-(2,4-Dihydroxyphenyl)-3-[2-[(2E)-3,7-dimethyl-2,6-octadien-1-yl]-3,4-dihydroxyphenyl]-1-propanone, 1-Propanone, 1-(2,4-dihydroxyphenyl)-3-(2-(3,7-dimethyl-2,6-octadienyl)-3,4-dihydroxyphenyl)-, (E)-
Ghose Rule	True
Classyfire Kingdom	Organic compounds
Topological Polar Surface Area	98.0
Hydrogen Bond Donor Count	4.0
Pfizer 3 75 Rule	False
Scaffold Graph Level	CC(CCC1CCCCC1)C1CCCCC1
Np Classifier Class	Chalcones
Deep Smiles	C/C=CCccCCC=O)cccccc6O)))O))))))))cccc6O))O))))))))/CCC=CC)C
Heavy Atom Count	30.0
Classyfire Class	Linear 1,3-diarylpropanoids
Description	Constituent of Artocarpus communis (breadfruit). 2-Geranyl-2',3,4,4'-tetrahydroxydihydrochalcone is found in fruits.
Scaffold Graph Node Level	OC(CCC1CCCCC1)C1CCCCC1
Classyfire Subclass	Chalcones and dihydrochalcones
Isotope Atom Count	0.0
Molecular Complexity	607.0
Database Name	cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;imppat_phytochem;npass_chem_all;pubchem
Defined Atom Stereocenter Count	0.0
Uniprot Id	P43235, n.a.
Iupac Name	1-(2,4-dihydroxyphenyl)-3-[2-[(2E)-3,7-dimethylocta-2,6-dienyl]-3,4-dihydroxyphenyl]propan-1-one
Prediction Hob	1.0
Class	Linear 1,3-diarylpropanoids
Veber Rule	True
Classyfire Superclass	Phenylpropanoids and polyketides
Target Id	NPT3595
Xlogp	6.4
Superclass	Phenylpropanoids and polyketides
Subclass	Chalcones and dihydrochalcones
Gsk 4 400 Rule	False
Molecular Formula	C25H30O5
Scaffold Graph Node Bond Level	O=C(CCc1ccccc1)c1ccccc1
Prediction Swissadme	0.0
Inchi Key	FVNFXIPJDHVJGE-REZTVBANSA-N
Silicos It Class	Moderately soluble
Fcsp3	0.32
Logs	-3.158
Rotatable Bond Count	9.0
State	Solid
Logd	3.988
Synonyms	2-Geranyl-2',3,4,4'-tetrahydroxydihydrochalcone, 3,4,2',4'-Tetrahydroxy-2-geranyldihydrochalcone, AC-5-1, AC 5-1, 2-geranyl-3,4,2',4'-tetrahydroxy-dihydrochalcone
Substituent Name	Chalcone or dihydrochalcone, Cinnamylphenol, 2'-hydroxy-dihydrochalcone, Butyrophenone, Monoterpenoid, Monocyclic monoterpenoid, Aromatic monoterpenoid, Acetophenone, Aryl alkyl ketone, Aryl ketone, Resorcinol, 1,2-diphenol, Benzoyl, Phenol, Benzenoid, Monocyclic benzene moiety, Vinylogous acid, Ketone, Hydrocarbon derivative, Organooxygen compound, Carbonyl group, Aromatic homomonocyclic compound
Esol Class	Poorly soluble
Functional Groups	C/C=C(/C)C, CC=C(C)C, cC(C)=O, cO
Compound Name	2-Geranyl-2',3,4,4'-tetrahydroxydihydrochalcone
Kingdom	Organic compounds
Prediction Hob Swissadme	0.0
Exact Mass	410.209
Formal Charge	0.0
Monoisotopic Mass	410.209
Hydrogen Bond Acceptor Count	5.0
Molecular Weight	410.5
Gi Absorption	True
Covalent Unit Count	1.0
Total Atom Stereocenter Count	0.0
Total Bond Stereocenter Count	1.0
Molecular Framework	Aromatic homomonocyclic compounds
Lipinski Rule Of 5	True
Esol	-6.1254620000000015
Inchi	InChI=1S/C25H30O5/c1-16(2)5-4-6-17(3)7-11-20-18(9-14-23(28)25(20)30)8-13-22(27)21-12-10-19(26)15-24(21)29/h5,7,9-10,12,14-15,26,28-30H,4,6,8,11,13H2,1-3H3/b17-7+
Smiles	CC(=CCC/C(=C/CC1=C(C=CC(=C1O)O)CCC(=O)C2=C(C=C(C=C2)O)O)/C)C
Nring	2.0
Np Classifier Biosynthetic Pathway	Shikimates and Phenylpropanoids
Defined Bond Stereocenter Count	1.0
Egan Rule	True
Taxonomy Direct Parent	2'-Hydroxy-dihydrochalcones
Np Classifier Superclass	Flavonoids

1. Outgoing r'ship FOUND_IN to/from Artocarpus Altilis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
2. Outgoing r'ship FOUND_IN to/from Artocarpus Chama (Plant) Rel Props:Reference:
3. Outgoing r'ship FOUND_IN to/from Artocarpus Champeden (Plant) Rel Props:Reference:
4. Outgoing r'ship FOUND_IN to/from Artocarpus Communis (Plant) Rel Props:Source_db:npass_chem_all
5. Outgoing r'ship FOUND_IN to/from Artocarpus Dadah (Plant) Rel Props:Reference:
6. Outgoing r'ship FOUND_IN to/from Artocarpus Gomezianus (Plant) Rel Props:Reference:
7. Outgoing r'ship FOUND_IN to/from Artocarpus Heterophyllus (Plant) Rel Props:Reference:
8. Outgoing r'ship FOUND_IN to/from Artocarpus Hirsutus (Plant) Rel Props:Reference:
9. Outgoing r'ship FOUND_IN to/from Artocarpus Incisa (Plant) Rel Props:Reference:
10. Outgoing r'ship FOUND_IN to/from Artocarpus Integer (Plant) Rel Props:Reference:
11. Outgoing r'ship FOUND_IN to/from Artocarpus Integra (Plant) Rel Props:Reference:
12. Outgoing r'ship FOUND_IN to/from Artocarpus Integrifolia (Plant) Rel Props:Reference:
13. Outgoing r'ship FOUND_IN to/from Artocarpus Lacucha (Plant) Rel Props:Reference:
14. Outgoing r'ship FOUND_IN to/from Artocarpus Lakoocha (Plant) Rel Props:Reference:
15. Outgoing r'ship FOUND_IN to/from Artocarpus Nobilis (Plant) Rel Props:Reference:
16. Outgoing r'ship FOUND_IN to/from Artocarpus Rigidus (Plant) Rel Props:Reference:
17. Outgoing r'ship FOUND_IN to/from Artocarpus Styracifolius (Plant) Rel Props:Reference:
18. Outgoing r'ship FOUND_IN to/from Brugmansia Suaveolens (Plant) Rel Props:Reference:
19. Outgoing r'ship FOUND_IN to/from Commelina Communis (Plant) Rel Props:Reference:
20. Outgoing r'ship FOUND_IN to/from Corydalis Suaveolens (Plant) Rel Props:Reference:
21. Outgoing r'ship FOUND_IN to/from Dioscorea Communis (Plant) Rel Props:Reference:
22. Outgoing r'ship FOUND_IN to/from Elsholtzia Communis (Plant) Rel Props:Reference:
23. Outgoing r'ship FOUND_IN to/from Erythrophleum Suaveolens (Plant) Rel Props:Reference:
24. Outgoing r'ship FOUND_IN to/from Hasteola Suaveolens (Plant) Rel Props:Reference:
25. Outgoing r'ship FOUND_IN to/from Hyptis Brevipes (Plant) Rel Props:Reference:
26. Outgoing r'ship FOUND_IN to/from Hyptis Capitata (Plant) Rel Props:Reference:
27. Outgoing r'ship FOUND_IN to/from Hyptis Fasciculata (Plant) Rel Props:Reference:
28. Outgoing r'ship FOUND_IN to/from Hyptis Pectinata (Plant) Rel Props:Reference:
29. Outgoing r'ship FOUND_IN to/from Hyptis Sauveolens (Plant) Rel Props:Reference:
30. Outgoing r'ship FOUND_IN to/from Hyptis Suaveolens (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
31. Outgoing r'ship FOUND_IN to/from Hyptis Tomentosa (Plant) Rel Props:Reference:
32. Outgoing r'ship FOUND_IN to/from Hyptis Urticoides (Plant) Rel Props:Reference:
33. Outgoing r'ship FOUND_IN to/from Hyptis Verticillata (Plant) Rel Props:Reference:
34. Outgoing r'ship FOUND_IN to/from Juniperus Communis (Plant) Rel Props:Reference:
35. Outgoing r'ship FOUND_IN to/from Malus Communis (Plant) Rel Props:Reference:
36. Outgoing r'ship FOUND_IN to/from Mentha Suaveolens (Plant) Rel Props:Reference:
37. Outgoing r'ship FOUND_IN to/from Myrtus Communis (Plant) Rel Props:Reference:
38. Outgoing r'ship FOUND_IN to/from Oricia Suaveolens (Plant) Rel Props:Reference:
39. Outgoing r'ship FOUND_IN to/from Parochetus Communis (Plant) Rel Props:Reference:
40. Outgoing r'ship FOUND_IN to/from Pluchea Suaveolens (Plant) Rel Props:Reference:
41. Outgoing r'ship FOUND_IN to/from Poikilospermum Suaveolens (Plant) Rel Props:Reference:
42. Outgoing r'ship FOUND_IN to/from Pyrus Communis (Plant) Rel Props:Reference:
43. Outgoing r'ship FOUND_IN to/from Rhynchosia Suaveolens (Plant) Rel Props:Reference:
44. Outgoing r'ship FOUND_IN to/from Ricinus Communis (Plant) Rel Props:Reference:
45. Outgoing r'ship FOUND_IN to/from Senecio Suaveolens (Plant) Rel Props:Reference:
46. Outgoing r'ship FOUND_IN to/from Spermadictyon Suaveolens (Plant) Rel Props:Reference:

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2-Geranyl-2',3,4,4'-tetrahydroxydihydrochalcone

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Phytochemical Properties

Associated Connections 46

Plant Connections 46