3,4,5-Trimethoxy-1,1'-biphenyl

PubChem CID: 46186838

Connections displayed (default: 10).

Loading graph...

ℹ️ Click here to know more about the properties

Compound Synonyms	3,4,5-Trimethoxy-1,1'-biphenyl, 50816-75-6, methoxy aucuparin, 1,1'-Biphenyl, 3,4,5-trimethoxy-, 3,4,5-trimethoxybiphenyl, SCHEMBL8420787, CHEMBL1080123, DTXSID70673043
Ghose Rule	True
Classyfire Kingdom	Organic compounds
Topological Polar Surface Area	27.7
Hydrogen Bond Donor Count	0.0
Pfizer 3 75 Rule	False
Scaffold Graph Level	C1CCC(C2CCCCC2)CC1
Np Classifier Class	p-Terphenyls
Deep Smiles	COcccccc6OC)))OC))))cccccc6
Heavy Atom Count	18.0
Classyfire Class	Benzene and substituted derivatives
Scaffold Graph Node Level	C1CCC(C2CCCCC2)CC1
Classyfire Subclass	Biphenyls and derivatives
Isotope Atom Count	0.0
Molecular Complexity	224.0
Database Name	cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem
Defined Atom Stereocenter Count	0.0
Iupac Name	1,2,3-trimethoxy-5-phenylbenzene
Prediction Hob	1.0
Veber Rule	True
Classyfire Superclass	Benzenoids
Xlogp	3.1
Gsk 4 400 Rule	True
Molecular Formula	C15H16O3
Scaffold Graph Node Bond Level	c1ccc(-c2ccccc2)cc1
Prediction Swissadme	0.0
Inchi Key	FZELAUWRSAKWRF-UHFFFAOYSA-N
Silicos It Class	Moderately soluble
Fcsp3	0.2
Logs	-4.18
Rotatable Bond Count	4.0
Logd	3.413
Synonyms	methoxy aucuparin
Esol Class	Soluble
Functional Groups	cOC
Compound Name	3,4,5-Trimethoxy-1,1'-biphenyl
Prediction Hob Swissadme	0.0
Exact Mass	244.11
Formal Charge	0.0
Monoisotopic Mass	244.11
Hydrogen Bond Acceptor Count	3.0
Molecular Weight	244.28
Gi Absorption	True
Covalent Unit Count	1.0
Total Atom Stereocenter Count	0.0
Total Bond Stereocenter Count	0.0
Lipinski Rule Of 5	True
Esol	-3.530631333333333
Inchi	InChI=1S/C15H16O3/c1-16-13-9-12(11-7-5-4-6-8-11)10-14(17-2)15(13)18-3/h4-10H,1-3H3
Smiles	COC1=CC(=CC(=C1OC)OC)C2=CC=CC=C2
Nring	2.0
Np Classifier Biosynthetic Pathway	Shikimates and Phenylpropanoids
Defined Bond Stereocenter Count	0.0
Egan Rule	True
Np Classifier Superclass	Terphenyls

1. Outgoing r'ship FOUND_IN to/from Abies Koreana (Plant) Rel Props:Reference:
2. Outgoing r'ship FOUND_IN to/from Astilbe Koreana (Plant) Rel Props:Reference:
3. Outgoing r'ship FOUND_IN to/from Berberis Actinacantha (Plant) Rel Props:Reference:
4. Outgoing r'ship FOUND_IN to/from Berberis Amurensis (Plant) Rel Props:Reference:
5. Outgoing r'ship FOUND_IN to/from Berberis Aristata (Plant) Rel Props:Reference:
6. Outgoing r'ship FOUND_IN to/from Berberis Asiatica (Plant) Rel Props:Reference:
7. Outgoing r'ship FOUND_IN to/from Berberis Baluchistanica (Plant) Rel Props:Reference:
8. Outgoing r'ship FOUND_IN to/from Berberis Brandisiana (Plant) Rel Props:Reference:
9. Outgoing r'ship FOUND_IN to/from Berberis Chitria (Plant) Rel Props:Reference:
10. Outgoing r'ship FOUND_IN to/from Berberis Concinna (Plant) Rel Props:Reference:
11. Outgoing r'ship FOUND_IN to/from Berberis Coriaria (Plant) Rel Props:Reference:
12. Outgoing r'ship FOUND_IN to/from Berberis Crataegina (Plant) Rel Props:Reference:
13. Outgoing r'ship FOUND_IN to/from Berberis Darwinii (Plant) Rel Props:Reference:
14. Outgoing r'ship FOUND_IN to/from Berberis Diaphana (Plant) Rel Props:Reference:
15. Outgoing r'ship FOUND_IN to/from Berberis Dictyophylla (Plant) Rel Props:Reference:
16. Outgoing r'ship FOUND_IN to/from Berberis Dubia (Plant) Rel Props:Reference:
17. Outgoing r'ship FOUND_IN to/from Berberis Floribunda (Plant) Rel Props:Reference:
18. Outgoing r'ship FOUND_IN to/from Berberis Fortunei (Plant) Rel Props:Reference:
19. Outgoing r'ship FOUND_IN to/from Berberis Ichiana (Plant) Rel Props:Reference:
20. Outgoing r'ship FOUND_IN to/from Berberis Insignis (Plant) Rel Props:Reference:
21. Outgoing r'ship FOUND_IN to/from Berberis Integerrima (Plant) Rel Props:Reference:
22. Outgoing r'ship FOUND_IN to/from Berberis Jaeschkeana (Plant) Rel Props:Reference:
23. Outgoing r'ship FOUND_IN to/from Berberis Japonica (Plant) Rel Props:Reference:
24. Outgoing r'ship FOUND_IN to/from Berberis Julianae (Plant) Rel Props:Reference:
25. Outgoing r'ship FOUND_IN to/from Berberis Kawakamii (Plant) Rel Props:Reference:
26. Outgoing r'ship FOUND_IN to/from Berberis Koreana (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
27. Outgoing r'ship FOUND_IN to/from Berberis Lambertii (Plant) Rel Props:Reference:
28. Outgoing r'ship FOUND_IN to/from Berberis Laurina (Plant) Rel Props:Reference:
29. Outgoing r'ship FOUND_IN to/from Berberis Lycium (Plant) Rel Props:Reference:
30. Outgoing r'ship FOUND_IN to/from Berberis Nepalensis (Plant) Rel Props:Reference:
31. Outgoing r'ship FOUND_IN to/from Berberis Oblonga (Plant) Rel Props:Reference:
32. Outgoing r'ship FOUND_IN to/from Berberis Orthobotrys (Plant) Rel Props:Reference:
33. Outgoing r'ship FOUND_IN to/from Berberis Pachyacantha (Plant) Rel Props:Reference:
34. Outgoing r'ship FOUND_IN to/from Berberis Petiolaris (Plant) Rel Props:Reference:
35. Outgoing r'ship FOUND_IN to/from Berberis Poiretii (Plant) Rel Props:Reference:
36. Outgoing r'ship FOUND_IN to/from Berberis Potaninii (Plant) Rel Props:Reference:
37. Outgoing r'ship FOUND_IN to/from Berberis Pseudumbellata (Plant) Rel Props:Reference:
38. Outgoing r'ship FOUND_IN to/from Berberis Repens (Plant) Rel Props:Reference:
39. Outgoing r'ship FOUND_IN to/from Berberis Thunbergii (Plant) Rel Props:Reference:
40. Outgoing r'ship FOUND_IN to/from Berberis Tinctoria (Plant) Rel Props:Reference:
41. Outgoing r'ship FOUND_IN to/from Berberis Tschonoskiana (Plant) Rel Props:Reference:
42. Outgoing r'ship FOUND_IN to/from Berberis Ulcina (Plant) Rel Props:Reference:
43. Outgoing r'ship FOUND_IN to/from Berberis Umbellata (Plant) Rel Props:Reference:
44. Outgoing r'ship FOUND_IN to/from Berberis Valdiviana (Plant) Rel Props:Reference:
45. Outgoing r'ship FOUND_IN to/from Berberis Virescens (Plant) Rel Props:Reference:
46. Outgoing r'ship FOUND_IN to/from Berberis Vulgaris (Plant) Rel Props:Reference:
47. Outgoing r'ship FOUND_IN to/from Berberis Wallichiana (Plant) Rel Props:Reference:
48. Outgoing r'ship FOUND_IN to/from Berberis Wilsonae (Plant) Rel Props:Reference:
49. Outgoing r'ship FOUND_IN to/from Cephalotaxus Koreana (Plant) Rel Props:Reference:
50. Outgoing r'ship FOUND_IN to/from Forsythia Koreana (Plant) Rel Props:Reference:
51. Outgoing r'ship FOUND_IN to/from Populus Koreana (Plant) Rel Props:Reference:
52. Outgoing r'ship FOUND_IN to/from Sorbus Aucuparia (Plant) Rel Props:Reference:ISBN:9788185042053

Back to Browse Back to Home

GRAYU Website

Grayu

3,4,5-Trimethoxy-1,1'-biphenyl

Graph

Phytochemical Properties

Associated Connections 52

Plant Connections 52