Roburic Acid

PubChem CID: 12315005

Connections displayed (default: 10).

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Compound Synonyms	Roburic acid, 6812-81-3, 3-[(1S,2S,4aR,4bS,6aR,9R,10S,10aR,12aR)-1,4a,4b,6a,9,10-hexamethyl-2-prop-1-en-2-yl-2,3,4,5,6,7,8,9,10,10a,12,12a-dodecahydrochrysen-1-yl]propanoic acid, CHEMBL3289101, CHEBI:132851, 3-[(1S,2S,4aR,4bS,6aR,9R,10S,10aR,12aR)-1,4a,4b,6a,9,10-hexamethyl-2-(prop-1-en-2-yl)-1,2,3,4,4a,4b,5,6,6a,7,8,9,10,10a,12,12a-hexadecahydrochrysen-1-yl]propanoic acid, Robate, Roburic-acid, Robic acid, 3-((1S,2S,4aR,4bS,6aR,9R,10S,10aR,12aR)-1,4a,4b,6a,9,10-Hexamethyl-2-(prop-1-en-2-yl)-1,2,3,4,4a,4b,5,6,6a,7,8,9,10,10a,12,12a-hexadecahydrochrysen-1-yl)propanoic acid, 3-((1S,2S,4aR,4bS,6aR,9R,10S,10aR,12aR)-1,4a,4b,6a,9,10-hexamethyl-2-prop-1-en-2-yl-2,3,4,5,6,7,8,9,10,10a,12,12a-dodecahydrochrysen-1-yl)propanoic acid, MFCD09953817, Roburic acid (Standard), HY-N0481R, DTXSID101318071, HY-N0481, BDBM50019155, EX-A10955, AKOS030530461, FR74174, AC-34402, AS-83217, DA-57497, CS-0009001, 3-[(1S,2S,4AR,4BS,6AR,9R,10S,10AR,12AR)-1,4A,4B,6A,9,10-HEXAMETHYL-2-(PROP-1-EN-2-YL)-2,3,4,5,6,7,8,9,10,10A,12,12A-DODECAHYDROCHRYSEN-1-YL]PROPANOIC ACID
Topological Polar Surface Area	37.3
Hydrogen Bond Donor Count	1.0
Heavy Atom Count	32.0
Isotope Atom Count	0.0
Molecular Complexity	825.0
Database Name	cmaup_ingredients;npass_chem_all;pubchem
Defined Atom Stereocenter Count	9.0
Uniprot Id	O14684, P05979, P35354
Iupac Name	3-[(1S,2S,4aR,4bS,6aR,9R,10S,10aR,12aR)-1,4a,4b,6a,9,10-hexamethyl-2-prop-1-en-2-yl-2,3,4,5,6,7,8,9,10,10a,12,12a-dodecahydrochrysen-1-yl]propanoic acid
Prediction Hob	1.0
Xlogp	9.1
Molecular Formula	C30H48O2
Prediction Swissadme	0.0
Inchi Key	RPPYCVULPFKBOG-CSHKLQQTSA-N
Fcsp3	0.8333333333333334
Logs	-5.537
Rotatable Bond Count	4.0
Logd	5.597
Compound Name	Roburic Acid
Prediction Hob Swissadme	0.0
Exact Mass	440.365
Formal Charge	0.0
Monoisotopic Mass	440.365
Hydrogen Bond Acceptor Count	2.0
Molecular Weight	440.7
Covalent Unit Count	1.0
Total Atom Stereocenter Count	9.0
Total Bond Stereocenter Count	0.0
Esol	-8.022514400000002
Inchi	InChI=1S/C30H48O2/c1-19(2)22-12-16-30(8)24(28(22,6)15-13-25(31)32)10-9-23-26-21(4)20(3)11-14-27(26,5)17-18-29(23,30)7/h9,20-22,24,26H,1,10-18H2,2-8H3,(H,31,32)/t20-,21+,22+,24-,26+,27-,28+,29-,30-/m1/s1
Smiles	C[C@@H]1CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(CC[C@H]([C@]4(C)CCC(=O)O)C(=C)C)C)[C@@H]2[C@H]1C)C)C
Nring	4.0
Defined Bond Stereocenter Count	0.0

1. Outgoing r'ship FOUND_IN to/from Achillea Macrophylla (Plant) Rel Props:Reference:
2. Outgoing r'ship FOUND_IN to/from Actaea Dahurica (Plant) Rel Props:Reference:
3. Outgoing r'ship FOUND_IN to/from Agathis Macrophylla (Plant) Rel Props:Reference:
4. Outgoing r'ship FOUND_IN to/from Alibertia Macrophylla (Plant) Rel Props:Reference:
5. Outgoing r'ship FOUND_IN to/from Alstonia Macrophylla (Plant) Rel Props:Reference:
6. Outgoing r'ship FOUND_IN to/from Angelica Dahurica (Plant) Rel Props:Reference:
7. Outgoing r'ship FOUND_IN to/from Boehmeria Macrophylla (Plant) Rel Props:Reference:
8. Outgoing r'ship FOUND_IN to/from Boswellia Carterii (Plant) Rel Props:Reference:
9. Outgoing r'ship FOUND_IN to/from Boswellia Frereana (Plant) Rel Props:Reference:
10. Outgoing r'ship FOUND_IN to/from Boswellia Glabra (Plant) Rel Props:Reference:
11. Outgoing r'ship FOUND_IN to/from Boswellia Ovalifoliolata (Plant) Rel Props:Reference:
12. Outgoing r'ship FOUND_IN to/from Boswellia Papyrifera (Plant) Rel Props:Reference:
13. Outgoing r'ship FOUND_IN to/from Boswellia Sacra (Plant) Rel Props:Reference:
14. Outgoing r'ship FOUND_IN to/from Boswellia Serrata (Plant) Rel Props:Reference:
15. Outgoing r'ship FOUND_IN to/from Boswellia Spp (Plant) Rel Props:Source_db:cmaup_ingredients
16. Outgoing r'ship FOUND_IN to/from Boswellia Thurifera (Plant) Rel Props:Reference:
17. Outgoing r'ship FOUND_IN to/from Callicarpa Macrophylla (Plant) Rel Props:Reference:
18. Outgoing r'ship FOUND_IN to/from Chionanthus Macrophylla (Plant) Rel Props:Reference:
19. Outgoing r'ship FOUND_IN to/from Chlorophytum Spp (Plant) Rel Props:Reference:
20. Outgoing r'ship FOUND_IN to/from Chonemorpha Macrophylla (Plant) Rel Props:Reference:
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24. Outgoing r'ship FOUND_IN to/from Flemingia Macrophylla (Plant) Rel Props:Reference:
25. Outgoing r'ship FOUND_IN to/from Garcinia Macrophylla (Plant) Rel Props:Reference:
26. Outgoing r'ship FOUND_IN to/from Gentiana Algida (Plant) Rel Props:Reference:
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30. Outgoing r'ship FOUND_IN to/from Gentiana Bavarica (Plant) Rel Props:Reference:
31. Outgoing r'ship FOUND_IN to/from Gentiana Bellidifolia (Plant) Rel Props:Reference:
32. Outgoing r'ship FOUND_IN to/from Gentiana Brachyphylla (Plant) Rel Props:Reference:
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34. Outgoing r'ship FOUND_IN to/from Gentiana Carinata (Plant) Rel Props:Reference:
35. Outgoing r'ship FOUND_IN to/from Gentiana Chirayita (Plant) Rel Props:Reference:
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37. Outgoing r'ship FOUND_IN to/from Gentiana Coronata (Plant) Rel Props:Reference:
38. Outgoing r'ship FOUND_IN to/from Gentiana Crassicaulis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
39. Outgoing r'ship FOUND_IN to/from Gentiana Dahurica (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
40. Outgoing r'ship FOUND_IN to/from Gentiana Depressa (Plant) Rel Props:Reference:
41. Outgoing r'ship FOUND_IN to/from Gentiana Elwesii (Plant) Rel Props:Reference:
42. Outgoing r'ship FOUND_IN to/from Gentiana Germanica (Plant) Rel Props:Reference:
43. Outgoing r'ship FOUND_IN to/from Gentiana Humilis (Plant) Rel Props:Reference:
44. Outgoing r'ship FOUND_IN to/from Gentiana Japonica (Plant) Rel Props:Reference:
45. Outgoing r'ship FOUND_IN to/from Gentiana Kochiana (Plant) Rel Props:Reference:
46. Outgoing r'ship FOUND_IN to/from Gentiana Kuroo (Plant) Rel Props:Reference:
47. Outgoing r'ship FOUND_IN to/from Gentiana Kurroo (Plant) Rel Props:Reference:
48. Outgoing r'ship FOUND_IN to/from Gentiana Lactea (Plant) Rel Props:Reference:
49. Outgoing r'ship FOUND_IN to/from Gentiana Lutea (Plant) Rel Props:Reference:
50. Outgoing r'ship FOUND_IN to/from Gentiana Macrophylla (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
51. Outgoing r'ship FOUND_IN to/from Gentiana Makinoi (Plant) Rel Props:Reference:
52. Outgoing r'ship FOUND_IN to/from Gentiana Manshurica (Plant) Rel Props:Reference:
53. Outgoing r'ship FOUND_IN to/from Gentiana Nivalis (Plant) Rel Props:Reference:
54. Outgoing r'ship FOUND_IN to/from Gentiana Nubigena (Plant) Rel Props:Reference:
55. Outgoing r'ship FOUND_IN to/from Gentiana Olgae (Plant) Rel Props:Reference:
56. Outgoing r'ship FOUND_IN to/from Gentiana Olivieri (Plant) Rel Props:Reference:
57. Outgoing r'ship FOUND_IN to/from Gentiana Pedicellata (Plant) Rel Props:Reference:
58. Outgoing r'ship FOUND_IN to/from Gentiana Prolata (Plant) Rel Props:Reference:
59. Outgoing r'ship FOUND_IN to/from Gentiana Purpurea (Plant) Rel Props:Reference:
60. Outgoing r'ship FOUND_IN to/from Gentiana Ramosa (Plant) Rel Props:Reference:
61. Outgoing r'ship FOUND_IN to/from Gentiana Rigescens (Plant) Rel Props:Reference:
62. Outgoing r'ship FOUND_IN to/from Gentiana Scabra (Plant) Rel Props:Reference:
63. Outgoing r'ship FOUND_IN to/from Gentiana Sikkimensis (Plant) Rel Props:Reference:
64. Outgoing r'ship FOUND_IN to/from Gentiana Siphonantha (Plant) Rel Props:Reference:
65. Outgoing r'ship FOUND_IN to/from Gentiana Spicata (Plant) Rel Props:Reference:
66. Outgoing r'ship FOUND_IN to/from Gentiana Squarrosa (Plant) Rel Props:Reference:
67. Outgoing r'ship FOUND_IN to/from Gentiana Stracheyi (Plant) Rel Props:Reference:
68. Outgoing r'ship FOUND_IN to/from Gentiana Straminea (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
69. Outgoing r'ship FOUND_IN to/from Gentiana Strictiflora (Plant) Rel Props:Reference:
70. Outgoing r'ship FOUND_IN to/from Gentiana Thunbergii (Plant) Rel Props:Reference:
71. Outgoing r'ship FOUND_IN to/from Gentiana Tibetica (Plant) Rel Props:Reference:
72. Outgoing r'ship FOUND_IN to/from Gentiana Triflora (Plant) Rel Props:Reference:
73. Outgoing r'ship FOUND_IN to/from Gentiana Turkestanorum (Plant) Rel Props:Reference:
74. Outgoing r'ship FOUND_IN to/from Gentiana Urnula (Plant) Rel Props:Reference:
75. Outgoing r'ship FOUND_IN to/from Gentiana Veitchiorum (Plant) Rel Props:Reference:
76. Outgoing r'ship FOUND_IN to/from Glycosmis Macrophylla (Plant) Rel Props:Reference:
77. Outgoing r'ship FOUND_IN to/from Hydrangea Macrophylla (Plant) Rel Props:Reference:
78. Outgoing r'ship FOUND_IN to/from Leea Macrophylla (Plant) Rel Props:Reference:
79. Outgoing r'ship FOUND_IN to/from Ligularia Macrophylla (Plant) Rel Props:Reference:
80. Outgoing r'ship FOUND_IN to/from Maesa Macrophylla (Plant) Rel Props:Reference:
81. Outgoing r'ship FOUND_IN to/from Mitragyna Macrophylla (Plant) Rel Props:Reference:
82. Outgoing r'ship FOUND_IN to/from Mussanda Spp (Plant) Rel Props:Reference:
83. Outgoing r'ship FOUND_IN to/from Nicotiana Macrophylla (Plant) Rel Props:Reference:
84. Outgoing r'ship FOUND_IN to/from Othonna Macrophylla (Plant) Rel Props:Reference:
85. Outgoing r'ship FOUND_IN to/from Oxytropis Macrophylla (Plant) Rel Props:Reference:
86. Outgoing r'ship FOUND_IN to/from Pavetta Crassicaulis (Plant) Rel Props:Reference:
87. Outgoing r'ship FOUND_IN to/from Pentaclethra Macrophylla (Plant) Rel Props:Reference:
88. Outgoing r'ship FOUND_IN to/from Piper Spp (Plant) Rel Props:Reference:
89. Outgoing r'ship FOUND_IN to/from Primula Macrophylla (Plant) Rel Props:Reference:
90. Outgoing r'ship FOUND_IN to/from Pulsatilla Dahurica (Plant) Rel Props:Reference:
91. Outgoing r'ship FOUND_IN to/from Rabdosia Macrophylla (Plant) Rel Props:Reference:
92. Outgoing r'ship FOUND_IN to/from Rosa Macrophylla (Plant) Rel Props:Reference:
93. Outgoing r'ship FOUND_IN to/from Salvia Spp (Plant) Rel Props:Reference:
94. Outgoing r'ship FOUND_IN to/from Smilax Macrophylla (Plant) Rel Props:Reference:
95. Outgoing r'ship FOUND_IN to/from Swietenia Macrophylla (Plant) Rel Props:Reference:
96. Outgoing r'ship FOUND_IN to/from Uncaria Macrophylla (Plant) Rel Props:Reference:
97. Outgoing r'ship FOUND_IN to/from Uvaria Macrophylla (Plant) Rel Props:Reference:

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Roburic Acid

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Phytochemical Properties

Associated Connections 97

Plant Connections 97