Tigloylgomisin P

PubChem CID: 5318785

Connections displayed (default: 10).

Loading graph...

ℹ️ Click here to know more about the properties

Compound Synonyms	Tigloylgomisin P, 69176-51-8, Tiglogomisin P, UNII-2VFX4QAR6A, 2VFX4QAR6A, Schizandrer B, [(8R,9R,10S)-9-hydroxy-3,4,5,19-tetramethoxy-9,10-dimethyl-15,17-dioxatetracyclo[10.7.0.02,7.014,18]nonadeca-1(19),2,4,6,12,14(18)-hexaen-8-yl] (E)-2-methylbut-2-enoate, 2-Butenoic acid, 2-methyl-, (5R,6R,7S,13aS)-5,6,7,8-tetrahydro-6-hydroxy-1,2,3,13-tetramethoxy-6,7-dimethylbenzo(3,4)cycloocta(1,2-f)(1,3)benzodioxol-5-yl ester, (2E)-, (5R)-6beta,7beta-Dimethyl-1,2,3,12-tetramethoxy-10,11-methylenedioxy(5,6,7,8-tetrahydrodibenzo[a,c]cyclooctene)-5beta,6alpha-diol 5-[(E)-2-methyl-2-butenoate], Schisanhenrin, Benzo(3,4)cycloocta(1,2-f)(1,3)benzodioxole-5,6-diol, 5,6,7,8-tetrahydro-6,7-dimethyl-1,2,3,13-tetramethyl-, 5-(2-methylcrotonate), stereoisomer, CHEMBL253907, HY-N7586, AKOS040760735, 82078-76-0, DA-68191, MS-29549, CS-0134318, E88928, Q27255652
Ghose Rule	False
Classyfire Kingdom	Organic compounds
Topological Polar Surface Area	102.0
Hydrogen Bond Donor Count	1.0
Pfizer 3 75 Rule	False
Scaffold Graph Level	C1CC2CC3CCCCC4CCCCC4C3CC2C1
Np Classifier Class	Dibenzocyclooctadienes lignans
Deep Smiles	C/C=C/C=O)O[C@@H]cccOC))ccc6-ccC[C@@H][C@@]%12C)O))C)))cccc6OC)))OCO5)))))))))OC)))OC)))))))))C
Heavy Atom Count	37.0
Classyfire Class	Tannins
Scaffold Graph Node Level	C1CCC2CC3OCOC3CC2C2CCCCC2C1
Classyfire Subclass	Hydrolyzable tannins
Isotope Atom Count	0.0
Molecular Complexity	832.0
Database Name	cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem
Defined Atom Stereocenter Count	3.0
Iupac Name	[(8R,9R,10S)-9-hydroxy-3,4,5,19-tetramethoxy-9,10-dimethyl-15,17-dioxatetracyclo[10.7.0.02,7.014,18]nonadeca-1(19),2,4,6,12,14(18)-hexaen-8-yl] (E)-2-methylbut-2-enoate
Prediction Hob	1.0
Veber Rule	True
Classyfire Superclass	Phenylpropanoids and polyketides
Xlogp	4.6
Gsk 4 400 Rule	False
Molecular Formula	C28H34O9
Scaffold Graph Node Bond Level	c1ccc2c(c1)CCCCc1cc3c(cc1-2)OCO3
Prediction Swissadme	0.0
Inchi Key	BKGUPIVDQHHVMV-TWJXSMCESA-N
Silicos It Class	Poorly soluble
Fcsp3	0.4642857142857143
Logs	-5.304
Rotatable Bond Count	7.0
Logd	3.198
Synonyms	tigloylgomisin p
Esol Class	Moderately soluble
Functional Groups	C/C=C(C)C(=O)OC, CO, c1cOCO1, cOC
Compound Name	Tigloylgomisin P
Prediction Hob Swissadme	0.0
Exact Mass	514.22
Formal Charge	0.0
Monoisotopic Mass	514.22
Hydrogen Bond Acceptor Count	9.0
Molecular Weight	514.6
Gi Absorption	True
Covalent Unit Count	1.0
Total Atom Stereocenter Count	3.0
Total Bond Stereocenter Count	1.0
Lipinski Rule Of 5	True
Esol	-5.6811402000000015
Inchi	InChI=1S/C28H34O9/c1-9-14(2)27(29)37-26-17-12-18(31-5)22(32-6)25(34-8)21(17)20-16(10-15(3)28(26,4)30)11-19-23(24(20)33-7)36-13-35-19/h9,11-12,15,26,30H,10,13H2,1-8H3/b14-9+/t15-,26+,28+/m0/s1
Smiles	C/C=C(\C)/C(=O)O[C@@H]1C2=CC(=C(C(=C2C3=C(C4=C(C=C3C[C@@H]([C@@]1(C)O)C)OCO4)OC)OC)OC)OC
Nring	4.0
Np Classifier Biosynthetic Pathway	Shikimates and Phenylpropanoids
Defined Bond Stereocenter Count	1.0
Egan Rule	True
Np Classifier Superclass	Lignans

1. Outgoing r'ship FOUND_IN to/from Abelia Chinensis (Plant) Rel Props:Reference:
2. Outgoing r'ship FOUND_IN to/from Actinidia Chinensis (Plant) Rel Props:Reference:
3. Outgoing r'ship FOUND_IN to/from Aesculus Chinensis (Plant) Rel Props:Reference:
4. Outgoing r'ship FOUND_IN to/from Albizia Chinensis (Plant) Rel Props:Reference:
5. Outgoing r'ship FOUND_IN to/from Albizzia Chinensis (Plant) Rel Props:Reference:
6. Outgoing r'ship FOUND_IN to/from Aloe Vera (Plant) Rel Props:Reference:
7. Outgoing r'ship FOUND_IN to/from Alpinia Chinensis (Plant) Rel Props:Reference:
8. Outgoing r'ship FOUND_IN to/from Anthocephalus Chinensis (Plant) Rel Props:Reference:
9. Outgoing r'ship FOUND_IN to/from Aralia Chinensis (Plant) Rel Props:Reference:
10. Outgoing r'ship FOUND_IN to/from Artemisia Chinensis (Plant) Rel Props:Reference:
11. Outgoing r'ship FOUND_IN to/from Arundina Chinensis (Plant) Rel Props:Reference:
12. Outgoing r'ship FOUND_IN to/from Astilbe Chinensis (Plant) Rel Props:Reference:
13. Outgoing r'ship FOUND_IN to/from Atractylodes Chinensis (Plant) Rel Props:Reference:
14. Outgoing r'ship FOUND_IN to/from Aucuba Chinensis (Plant) Rel Props:Reference:
15. Outgoing r'ship FOUND_IN to/from Belamcanda Chinensis (Plant) Rel Props:Reference:
16. Outgoing r'ship FOUND_IN to/from Blumea Chinensis (Plant) Rel Props:Reference:
17. Outgoing r'ship FOUND_IN to/from Boerhavia Chinensis (Plant) Rel Props:Reference:
18. Outgoing r'ship FOUND_IN to/from Breonia Chinensis (Plant) Rel Props:Reference:
19. Outgoing r'ship FOUND_IN to/from Clematis Chinensis (Plant) Rel Props:Reference:
20. Outgoing r'ship FOUND_IN to/from Coptis Chinensis (Plant) Rel Props:Reference:
21. Outgoing r'ship FOUND_IN to/from Cryptocarya Chinensis (Plant) Rel Props:Reference:
22. Outgoing r'ship FOUND_IN to/from Cuscuta Chinensis (Plant) Rel Props:Reference:
23. Outgoing r'ship FOUND_IN to/from Datura Alba (Plant) Rel Props:Reference:
24. Outgoing r'ship FOUND_IN to/from Datura Arborea (Plant) Rel Props:Reference:
25. Outgoing r'ship FOUND_IN to/from Datura Fastuosa (Plant) Rel Props:Reference:
26. Outgoing r'ship FOUND_IN to/from Datura Ferox (Plant) Rel Props:Reference:
27. Outgoing r'ship FOUND_IN to/from Datura Innoxia (Plant) Rel Props:Reference:
28. Outgoing r'ship FOUND_IN to/from Datura Inoxia (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
29. Outgoing r'ship FOUND_IN to/from Datura Metel (Plant) Rel Props:Reference:
30. Outgoing r'ship FOUND_IN to/from Datura Quercifolia (Plant) Rel Props:Reference:
31. Outgoing r'ship FOUND_IN to/from Datura Stramonium (Plant) Rel Props:Reference:
32. Outgoing r'ship FOUND_IN to/from Datura Tatula (Plant) Rel Props:Reference:
33. Outgoing r'ship FOUND_IN to/from Datura Wrightii (Plant) Rel Props:Reference:
34. Outgoing r'ship FOUND_IN to/from Desmos Chinensis (Plant) Rel Props:Reference:
35. Outgoing r'ship FOUND_IN to/from Dianthus Chinensis (Plant) Rel Props:Reference:
36. Outgoing r'ship FOUND_IN to/from Dicliptera Chinensis (Plant) Rel Props:Reference:
37. Outgoing r'ship FOUND_IN to/from Eremurus Chinensis (Plant) Rel Props:Reference:
38. Outgoing r'ship FOUND_IN to/from Fraxinus Chinensis (Plant) Rel Props:Reference:
39. Outgoing r'ship FOUND_IN to/from Hydrangea Chinensis (Plant) Rel Props:Reference:
40. Outgoing r'ship FOUND_IN to/from Impatiens Chinensis (Plant) Rel Props:Reference:
41. Outgoing r'ship FOUND_IN to/from Inula Britannica (Plant) Rel Props:Reference:
42. Outgoing r'ship FOUND_IN to/from Ipomoea Rubriflora (Plant) Rel Props:Reference:
43. Outgoing r'ship FOUND_IN to/from Iris Lactea (Plant) Rel Props:Reference:
44. Outgoing r'ship FOUND_IN to/from Ixeris Chinensis (Plant) Rel Props:Reference:
45. Outgoing r'ship FOUND_IN to/from Ixora Chinensis (Plant) Rel Props:Reference:
46. Outgoing r'ship FOUND_IN to/from Juniperus Chinensis (Plant) Rel Props:Reference:
47. Outgoing r'ship FOUND_IN to/from Kadsura Heteroclita (Plant) Rel Props:Reference:ISBN:9788172362461
48. Outgoing r'ship FOUND_IN to/from Kielmeyera Rubriflora (Plant) Rel Props:Reference:
49. Outgoing r'ship FOUND_IN to/from Klaseopsis Chinensis (Plant) Rel Props:Reference:
50. Outgoing r'ship FOUND_IN to/from Listea Chinensis (Plant) Rel Props:Reference:
51. Outgoing r'ship FOUND_IN to/from Litchi Chinensis (Plant) Rel Props:Reference:
52. Outgoing r'ship FOUND_IN to/from Lobelia Chinensis (Plant) Rel Props:Reference:
53. Outgoing r'ship FOUND_IN to/from Matsumurella Chinensis (Plant) Rel Props:Reference:
54. Outgoing r'ship FOUND_IN to/from Mosla Chinensis (Plant) Rel Props:Reference:
55. Outgoing r'ship FOUND_IN to/from Odontosoria Chinensis (Plant) Rel Props:Reference:
56. Outgoing r'ship FOUND_IN to/from Osbeckia Chinensis (Plant) Rel Props:Reference:
57. Outgoing r'ship FOUND_IN to/from Paederia Chinensis (Plant) Rel Props:Reference:
58. Outgoing r'ship FOUND_IN to/from Persicaria Chinensis (Plant) Rel Props:Reference:
59. Outgoing r'ship FOUND_IN to/from Pistacia Chinensis (Plant) Rel Props:Reference:
60. Outgoing r'ship FOUND_IN to/from Polygala Chinensis (Plant) Rel Props:Reference:
61. Outgoing r'ship FOUND_IN to/from Potentilla Chinensis (Plant) Rel Props:Reference:
62. Outgoing r'ship FOUND_IN to/from Pothos Chinensis (Plant) Rel Props:Reference:
63. Outgoing r'ship FOUND_IN to/from Pulsatilla Chinensis (Plant) Rel Props:Reference:
64. Outgoing r'ship FOUND_IN to/from Rhus Chinensis (Plant) Rel Props:Reference:
65. Outgoing r'ship FOUND_IN to/from Rosa Chinensis (Plant) Rel Props:Reference:
66. Outgoing r'ship FOUND_IN to/from Salacia Chinensis (Plant) Rel Props:Reference:
67. Outgoing r'ship FOUND_IN to/from Saururus Chinensis (Plant) Rel Props:Reference:
68. Outgoing r'ship FOUND_IN to/from Schisandra Arisanensis (Plant) Rel Props:Reference:
69. Outgoing r'ship FOUND_IN to/from Schisandra Chinensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
70. Outgoing r'ship FOUND_IN to/from Schisandra Glaucescens (Plant) Rel Props:Reference:
71. Outgoing r'ship FOUND_IN to/from Schisandra Grandiflora (Plant) Rel Props:Reference:
72. Outgoing r'ship FOUND_IN to/from Schisandra Henryi (Plant) Rel Props:Reference:
73. Outgoing r'ship FOUND_IN to/from Schisandra Lancifolia (Plant) Rel Props:Reference:
74. Outgoing r'ship FOUND_IN to/from Schisandra Micrantha (Plant) Rel Props:Reference:
75. Outgoing r'ship FOUND_IN to/from Schisandra Neglecta (Plant) Rel Props:Reference:
76. Outgoing r'ship FOUND_IN to/from Schisandra Nigra (Plant) Rel Props:Reference:
77. Outgoing r'ship FOUND_IN to/from Schisandra Propinqua (Plant) Rel Props:Reference:
78. Outgoing r'ship FOUND_IN to/from Schisandra Rubriflora (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
79. Outgoing r'ship FOUND_IN to/from Schisandra Sphaerandra (Plant) Rel Props:Reference:
80. Outgoing r'ship FOUND_IN to/from Schisandra Sphenanthera (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
81. Outgoing r'ship FOUND_IN to/from Scolopia Chinensis (Plant) Rel Props:Reference:
82. Outgoing r'ship FOUND_IN to/from Senecio Chinensis (Plant) Rel Props:Reference:
83. Outgoing r'ship FOUND_IN to/from Simmondsia Chinensis (Plant) Rel Props:Reference:
84. Outgoing r'ship FOUND_IN to/from Siphonostegia Chinensis (Plant) Rel Props:Reference:
85. Outgoing r'ship FOUND_IN to/from Solidago Chinensis (Plant) Rel Props:Reference:
86. Outgoing r'ship FOUND_IN to/from Sphenomeris Chinensis (Plant) Rel Props:Reference:
87. Outgoing r'ship FOUND_IN to/from Stachys Chinensis (Plant) Rel Props:Reference:
88. Outgoing r'ship FOUND_IN to/from Stauntonia Chinensis (Plant) Rel Props:Reference:
89. Outgoing r'ship FOUND_IN to/from Swertia Chinensis (Plant) Rel Props:Reference:
90. Outgoing r'ship FOUND_IN to/from Symplocos Chinensis (Plant) Rel Props:Reference:
91. Outgoing r'ship FOUND_IN to/from Tamarix Chinensis (Plant) Rel Props:Reference:
92. Outgoing r'ship FOUND_IN to/from Taxillus Chinensis (Plant) Rel Props:Reference:
93. Outgoing r'ship FOUND_IN to/from Taxus Chinensis (Plant) Rel Props:Reference:
94. Outgoing r'ship FOUND_IN to/from Thermopsis Chinensis (Plant) Rel Props:Reference:
95. Outgoing r'ship FOUND_IN to/from Trollius Chinensis (Plant) Rel Props:Reference:
96. Outgoing r'ship FOUND_IN to/from Tsuga Chinensis (Plant) Rel Props:Reference:
97. Outgoing r'ship FOUND_IN to/from Tupistra Chinensis (Plant) Rel Props:Reference:
98. Outgoing r'ship FOUND_IN to/from Wedelia Chinensis (Plant) Rel Props:Reference:

Back to Browse Back to Home

GRAYU Website

Grayu

Tigloylgomisin P

Graph

Phytochemical Properties

Associated Connections 98

Plant Connections 98