2alpha,3alpha,23-Trihydroxyolean-12-en-28-oic acid

PubChem CID: 11504083

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Compound Synonyms	102519-34-6, Isoarjunolic acid, 2,3,23-Trihydroxy-12-oleanen-28-oic acid, 2alpha,3alpha,23-trihydroxyolean-12-en-28-oic acid, CHEBI:67913, (4aS,6aR,6aS,6bR,8aR,9R,10S,11R,12aR,14bS)-10,11-dihydroxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid, Olean-12-en-28-oic acid, 2,3,23-trihydroxy-, (2alpha,3alpha,4alpha)-, SCHEMBL5800081, CHEMBL1774425, HY-N1719, AKOS026674276, DA-60006, FS-10082, Q27136387, (2alpha,3alpha)-2,3,23-trihydroxyolean-12-en-28-oic acid
Ghose Rule	False
Classyfire Kingdom	Organic compounds
Topological Polar Surface Area	98.0
Hydrogen Bond Donor Count	4.0
Pfizer 3 75 Rule	False
Scaffold Graph Level	C1CCC2C(C1)CCC1C2CCC2C3CCCCC3CCC21
Np Classifier Class	Oleanane triterpenoids
Deep Smiles	OC[C@]C)[C@H]O)[C@H]O)C[C@][C@H]6CC[C@@][C@@H]6CC=C[C@@]6C)CC[C@@][C@H]6CCCC6))C)C))))C=O)O))))))))))C)))))C
Heavy Atom Count	35.0
Classyfire Class	Prenol lipids
Scaffold Graph Node Level	C1CCC2C(C1)CCC1C2CCC2C3CCCCC3CCC21
Classyfire Subclass	Triterpenoids
Isotope Atom Count	0.0
Molecular Complexity	941.0
Database Name	cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem
Defined Atom Stereocenter Count	10.0
Uniprot Id	F1MN93
Iupac Name	(4aS,6aR,6aS,6bR,8aR,9R,10S,11R,12aR,14bS)-10,11-dihydroxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
Prediction Hob	0.0
Veber Rule	True
Classyfire Superclass	Lipids and lipid-like molecules
Xlogp	5.8
Gsk 4 400 Rule	False
Molecular Formula	C30H48O5
Scaffold Graph Node Bond Level	C1=C2C3CCCCC3CCC2C2CCC3CCCCC3C2C1
Prediction Swissadme	0.0
Inchi Key	RWNHLTKFBKYDOJ-LHFSSXJCSA-N
Silicos It Class	Moderately soluble
Fcsp3	0.9
Rotatable Bond Count	2.0
Synonyms	2alpha,3alpha,23-trihydroxyolean-12-en-28-oic acid
Esol Class	Poorly soluble
Functional Groups	CC(=O)O, CC=C(C)C, CO
Compound Name	2alpha,3alpha,23-Trihydroxyolean-12-en-28-oic acid
Prediction Hob Swissadme	0.0
Exact Mass	488.35
Formal Charge	0.0
Monoisotopic Mass	488.35
Hydrogen Bond Acceptor Count	5.0
Molecular Weight	488.7
Gi Absorption	True
Covalent Unit Count	1.0
Total Atom Stereocenter Count	10.0
Total Bond Stereocenter Count	0.0
Lipinski Rule Of 5	True
Esol	-6.417195800000002
Inchi	InChI=1S/C30H48O5/c1-25(2)11-13-30(24(34)35)14-12-28(5)18(19(30)15-25)7-8-22-26(3)16-20(32)23(33)27(4,17-31)21(26)9-10-29(22,28)6/h7,19-23,31-33H,8-17H2,1-6H3,(H,34,35)/t19-,20+,21+,22+,23+,26-,27-,28+,29+,30-/m0/s1
Smiles	C[C@@]12CC[C@@H]3[C@@]([C@H]1CC=C4[C@]2(CC[C@@]5([C@H]4CC(CC5)(C)C)C(=O)O)C)(C[C@H]([C@H]([C@@]3(C)CO)O)O)C
Np Classifier Biosynthetic Pathway	Terpenoids
Defined Bond Stereocenter Count	0.0
Egan Rule	True
Np Classifier Superclass	Triterpenoids

1. Outgoing r'ship FOUND_IN to/from Acacia Pubescens (Plant) Rel Props:Reference:
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54. Outgoing r'ship FOUND_IN to/from Colchicum Brachyphyllum (Plant) Rel Props:Reference:
55. Outgoing r'ship FOUND_IN to/from Colchicum Filifolium (Plant) Rel Props:Reference:
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57. Outgoing r'ship FOUND_IN to/from Colchicum Macedonicum (Plant) Rel Props:Reference:
58. Outgoing r'ship FOUND_IN to/from Colchicum Robustum (Plant) Rel Props:Reference:
59. Outgoing r'ship FOUND_IN to/from Colchicum Speciosum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
60. Outgoing r'ship FOUND_IN to/from Consolida Pubescens (Plant) Rel Props:Reference:
61. Outgoing r'ship FOUND_IN to/from Coreopsis Grandiflora (Plant) Rel Props:Reference:
62. Outgoing r'ship FOUND_IN to/from Crotalaria Quinquefolia (Plant) Rel Props:Reference:
63. Outgoing r'ship FOUND_IN to/from Cryptostegia Grandiflora (Plant) Rel Props:Reference:
64. Outgoing r'ship FOUND_IN to/from Cyathula Tomentosa (Plant) Rel Props:Reference:
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66. Outgoing r'ship FOUND_IN to/from Dicoma Tomentosa (Plant) Rel Props:Reference:
67. Outgoing r'ship FOUND_IN to/from Dioclea Grandiflora (Plant) Rel Props:Reference:
68. Outgoing r'ship FOUND_IN to/from Dioscorea Tomentosa (Plant) Rel Props:Reference:
69. Outgoing r'ship FOUND_IN to/from Duabanga Grandiflora (Plant) Rel Props:Reference:
70. Outgoing r'ship FOUND_IN to/from Edgeworthia Tomentosa (Plant) Rel Props:Reference:
71. Outgoing r'ship FOUND_IN to/from Ehretia Pubescens (Plant) Rel Props:Reference:
72. Outgoing r'ship FOUND_IN to/from Epimedium Pubescens (Plant) Rel Props:Reference:
73. Outgoing r'ship FOUND_IN to/from Eria Tomentosa (Plant) Rel Props:Reference:
74. Outgoing r'ship FOUND_IN to/from Espeletia Grandiflora (Plant) Rel Props:Reference:
75. Outgoing r'ship FOUND_IN to/from Euphorbia Pubescens (Plant) Rel Props:Reference:
76. Outgoing r'ship FOUND_IN to/from Fallopia Multiflora (Plant) Rel Props:Reference:
77. Outgoing r'ship FOUND_IN to/from Ficus Tomentosa (Plant) Rel Props:Reference:
78. Outgoing r'ship FOUND_IN to/from Garcinia Multiflora (Plant) Rel Props:Reference:
79. Outgoing r'ship FOUND_IN to/from Gardenia Jasminoides (Plant) Rel Props:Reference:
80. Outgoing r'ship FOUND_IN to/from Globba Multiflora (Plant) Rel Props:Reference:
81. Outgoing r'ship FOUND_IN to/from Goupia Tomentosa (Plant) Rel Props:Reference:
82. Outgoing r'ship FOUND_IN to/from Gueldenstaedtia Multiflora (Plant) Rel Props:Reference:
83. Outgoing r'ship FOUND_IN to/from Hedeoma Multiflora (Plant) Rel Props:Reference:
84. Outgoing r'ship FOUND_IN to/from Heliomeris Multiflora (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
85. Outgoing r'ship FOUND_IN to/from Heterotheca Grandiflora (Plant) Rel Props:Reference:
86. Outgoing r'ship FOUND_IN to/from Holarrhena Pubescens (Plant) Rel Props:Reference:
87. Outgoing r'ship FOUND_IN to/from Hubertia Tomentosa (Plant) Rel Props:Reference:
88. Outgoing r'ship FOUND_IN to/from Hymenoxys Grandiflora (Plant) Rel Props:Reference:
89. Outgoing r'ship FOUND_IN to/from Hyptis Tomentosa (Plant) Rel Props:Reference:
90. Outgoing r'ship FOUND_IN to/from Ilex Pubescens (Plant) Rel Props:Reference:
91. Outgoing r'ship FOUND_IN to/from Ipomoea Grandiflora (Plant) Rel Props:Reference:
92. Outgoing r'ship FOUND_IN to/from Kallstroemia Pubescens (Plant) Rel Props:Reference:
93. Outgoing r'ship FOUND_IN to/from Kleinia Grandiflora (Plant) Rel Props:Reference:
94. Outgoing r'ship FOUND_IN to/from Lavandula Dentata (Plant) Rel Props:Reference:
95. Outgoing r'ship FOUND_IN to/from Lespedeza Tomentosa (Plant) Rel Props:Reference:
96. Outgoing r'ship FOUND_IN to/from Ligularia Altaica (Plant) Rel Props:Reference:
97. Outgoing r'ship FOUND_IN to/from Ligularia Amplexicaule (Plant) Rel Props:Reference:
98. Outgoing r'ship FOUND_IN to/from Ligularia Atroviolacea (Plant) Rel Props:Reference:
99. Outgoing r'ship FOUND_IN to/from Ligularia Clivorum (Plant) Rel Props:Reference:
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102. Outgoing r'ship FOUND_IN to/from Ligularia Dictyoneura (Plant) Rel Props:Reference:
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142. Outgoing r'ship FOUND_IN to/from Nymphaea Pubescens (Plant) Rel Props:Reference:
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156. Outgoing r'ship FOUND_IN to/from Prunella Vulgaris (Plant) Rel Props:Reference:ISBN:9788185042138
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182. Outgoing r'ship FOUND_IN to/from Rosa Laevigata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
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199. Outgoing r'ship FOUND_IN to/from Scrophularia Dentata (Plant) Rel Props:Reference:
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203. Outgoing r'ship FOUND_IN to/from Senecio Ambraceus (Plant) Rel Props:Reference:
204. Outgoing r'ship FOUND_IN to/from Senecio Asper (Plant) Rel Props:Reference:
205. Outgoing r'ship FOUND_IN to/from Senecio Aureus (Plant) Rel Props:Reference:
206. Outgoing r'ship FOUND_IN to/from Senecio Behnii (Plant) Rel Props:Reference:
207. Outgoing r'ship FOUND_IN to/from Senecio Brasiliensis (Plant) Rel Props:Reference:
208. Outgoing r'ship FOUND_IN to/from Senecio Candollei (Plant) Rel Props:Reference:
209. Outgoing r'ship FOUND_IN to/from Senecio Cappa (Plant) Rel Props:Reference:
210. Outgoing r'ship FOUND_IN to/from Senecio Cathcartensis (Plant) Rel Props:Reference:
211. Outgoing r'ship FOUND_IN to/from Senecio Chinensis (Plant) Rel Props:Reference:
212. Outgoing r'ship FOUND_IN to/from Senecio Chionophilus (Plant) Rel Props:Reference:
213. Outgoing r'ship FOUND_IN to/from Senecio Chrysanthemoides (Plant) Rel Props:Reference:
214. Outgoing r'ship FOUND_IN to/from Senecio Coahuilensis (Plant) Rel Props:Reference:
215. Outgoing r'ship FOUND_IN to/from Senecio Congestus (Plant) Rel Props:Reference:
216. Outgoing r'ship FOUND_IN to/from Senecio Densiflorus (Plant) Rel Props:Reference:
217. Outgoing r'ship FOUND_IN to/from Senecio Desfontainei (Plant) Rel Props:Reference:
218. Outgoing r'ship FOUND_IN to/from Senecio Dolichodoryius (Plant) Rel Props:Reference:
219. Outgoing r'ship FOUND_IN to/from Senecio Eremophilus (Plant) Rel Props:Reference:
220. Outgoing r'ship FOUND_IN to/from Senecio Erraticus (Plant) Rel Props:Reference:
221. Outgoing r'ship FOUND_IN to/from Senecio Flammeus (Plant) Rel Props:Reference:
222. Outgoing r'ship FOUND_IN to/from Senecio Flavus (Plant) Rel Props:Reference:
223. Outgoing r'ship FOUND_IN to/from Senecio Fuertesii (Plant) Rel Props:Reference:
224. Outgoing r'ship FOUND_IN to/from Senecio Gilliesi (Plant) Rel Props:Reference:
225. Outgoing r'ship FOUND_IN to/from Senecio Graciliflorus (Plant) Rel Props:Reference:
226. Outgoing r'ship FOUND_IN to/from Senecio Grandiflorus (Plant) Rel Props:Reference:
227. Outgoing r'ship FOUND_IN to/from Senecio Heliopsis (Plant) Rel Props:Reference:
228. Outgoing r'ship FOUND_IN to/from Senecio Hohenackeri (Plant) Rel Props:Reference:
229. Outgoing r'ship FOUND_IN to/from Senecio Integerrimus (Plant) Rel Props:Reference:
230. Outgoing r'ship FOUND_IN to/from Senecio Isatideus (Plant) Rel Props:Reference:
231. Outgoing r'ship FOUND_IN to/from Senecio Jacobaea (Plant) Rel Props:Reference:
232. Outgoing r'ship FOUND_IN to/from Senecio Jacquemontianus (Plant) Rel Props:Reference:
233. Outgoing r'ship FOUND_IN to/from Senecio Kaempferi (Plant) Rel Props:Reference:
234. Outgoing r'ship FOUND_IN to/from Senecio Laetus (Plant) Rel Props:Reference:
235. Outgoing r'ship FOUND_IN to/from Senecio Latifolius (Plant) Rel Props:Reference:
236. Outgoing r'ship FOUND_IN to/from Senecio Longifolius (Plant) Rel Props:Reference:
237. Outgoing r'ship FOUND_IN to/from Senecio Macrocephalus (Plant) Rel Props:Reference:
238. Outgoing r'ship FOUND_IN to/from Senecio Macrophyllus (Plant) Rel Props:Reference:
239. Outgoing r'ship FOUND_IN to/from Senecio Madagascariensis (Plant) Rel Props:Reference:
240. Outgoing r'ship FOUND_IN to/from Senecio Mexicanus (Plant) Rel Props:Reference:
241. Outgoing r'ship FOUND_IN to/from Senecio Microglossus (Plant) Rel Props:Reference:
242. Outgoing r'ship FOUND_IN to/from Senecio Miser (Plant) Rel Props:Reference:
243. Outgoing r'ship FOUND_IN to/from Senecio Nemorensis (Plant) Rel Props:Reference:
244. Outgoing r'ship FOUND_IN to/from Senecio Nudicaulis (Plant) Rel Props:Reference:
245. Outgoing r'ship FOUND_IN to/from Senecio Oryzetorum (Plant) Rel Props:Reference:
246. Outgoing r'ship FOUND_IN to/from Senecio Othonniformis (Plant) Rel Props:Reference:
247. Outgoing r'ship FOUND_IN to/from Senecio Paludaffinis (Plant) Rel Props:Reference:
248. Outgoing r'ship FOUND_IN to/from Senecio Paucicazyculatus (Plant) Rel Props:Reference:
249. Outgoing r'ship FOUND_IN to/from Senecio Platyphylloides (Plant) Rel Props:Reference:
250. Outgoing r'ship FOUND_IN to/from Senecio Platyphyllus (Plant) Rel Props:Reference:
251. Outgoing r'ship FOUND_IN to/from Senecio Polyodon (Plant) Rel Props:Reference:
252. Outgoing r'ship FOUND_IN to/from Senecio Praecox (Plant) Rel Props:Reference:
253. Outgoing r'ship FOUND_IN to/from Senecio Pyramidatus (Plant) Rel Props:Reference:
254. Outgoing r'ship FOUND_IN to/from Senecio Quinquelobus (Plant) Rel Props:Reference:
255. Outgoing r'ship FOUND_IN to/from Senecio Renardii (Plant) Rel Props:Reference:
256. Outgoing r'ship FOUND_IN to/from Senecio Retrorsus (Plant) Rel Props:Reference:
257. Outgoing r'ship FOUND_IN to/from Senecio Rivularis (Plant) Rel Props:Reference:
258. Outgoing r'ship FOUND_IN to/from Senecio Roseus (Plant) Rel Props:Reference:
259. Outgoing r'ship FOUND_IN to/from Senecio Rosmarinifolius (Plant) Rel Props:Reference:
260. Outgoing r'ship FOUND_IN to/from Senecio Rufinervis (Plant) Rel Props:Reference:
261. Outgoing r'ship FOUND_IN to/from Senecio Rupestris (Plant) Rel Props:Reference:
262. Outgoing r'ship FOUND_IN to/from Senecio Ruwenzoriensis (Plant) Rel Props:Reference:
263. Outgoing r'ship FOUND_IN to/from Senecio Sandersonii (Plant) Rel Props:Reference:
264. Outgoing r'ship FOUND_IN to/from Senecio Scandens (Plant) Rel Props:Reference:
265. Outgoing r'ship FOUND_IN to/from Senecio Sinuatus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
266. Outgoing r'ship FOUND_IN to/from Senecio Speciosus (Plant) Rel Props:Reference:
267. Outgoing r'ship FOUND_IN to/from Senecio Squalidus (Plant) Rel Props:Reference:
268. Outgoing r'ship FOUND_IN to/from Senecio Suaveolens (Plant) Rel Props:Reference:
269. Outgoing r'ship FOUND_IN to/from Senecio Subdentatus (Plant) Rel Props:Reference:
270. Outgoing r'ship FOUND_IN to/from Senecio Taiwanensis (Plant) Rel Props:Reference:
271. Outgoing r'ship FOUND_IN to/from Senecio Tenuifolius (Plant) Rel Props:Reference:
272. Outgoing r'ship FOUND_IN to/from Senecio Tibeticus (Plant) Rel Props:Reference:
273. Outgoing r'ship FOUND_IN to/from Senecio Toluccanus (Plant) Rel Props:Reference:
274. Outgoing r'ship FOUND_IN to/from Senecio Tricephalus (Plant) Rel Props:Reference:
275. Outgoing r'ship FOUND_IN to/from Senecio Variabilis (Plant) Rel Props:Reference:
276. Outgoing r'ship FOUND_IN to/from Senecio Vellereus (Plant) Rel Props:Reference:
277. Outgoing r'ship FOUND_IN to/from Senecio Viscosus (Plant) Rel Props:Reference:
278. Outgoing r'ship FOUND_IN to/from Senecio Vulgaris (Plant) Rel Props:Reference:
279. Outgoing r'ship FOUND_IN to/from Senecio Zoellneri (Plant) Rel Props:Reference:
280. Outgoing r'ship FOUND_IN to/from Sesbania Grandiflora (Plant) Rel Props:Reference:
281. Outgoing r'ship FOUND_IN to/from Sideritis Grandiflora (Plant) Rel Props:Reference:
282. Outgoing r'ship FOUND_IN to/from Siegesbeckia Orientalis (Plant) Rel Props:Reference:
283. Outgoing r'ship FOUND_IN to/from Sigesbeckia Pubescens (Plant) Rel Props:Reference:
284. Outgoing r'ship FOUND_IN to/from Simaba Multiflora (Plant) Rel Props:Reference:
285. Outgoing r'ship FOUND_IN to/from Solanum Pubescens (Plant) Rel Props:Reference:
286. Outgoing r'ship FOUND_IN to/from Sophora Tomentosa (Plant) Rel Props:Reference:
287. Outgoing r'ship FOUND_IN to/from Sorbaria Tomentosa (Plant) Rel Props:Reference:
288. Outgoing r'ship FOUND_IN to/from Strychnos Tomentosa (Plant) Rel Props:Reference:
289. Outgoing r'ship FOUND_IN to/from Suregada Multiflora (Plant) Rel Props:Reference:
290. Outgoing r'ship FOUND_IN to/from Swertia Pubescens (Plant) Rel Props:Reference:
291. Outgoing r'ship FOUND_IN to/from Syringa Pubescens (Plant) Rel Props:Reference:
292. Outgoing r'ship FOUND_IN to/from Tecoma Grandiflora (Plant) Rel Props:Reference:
293. Outgoing r'ship FOUND_IN to/from Terminalia Tomentosa (Plant) Rel Props:Reference:
294. Outgoing r'ship FOUND_IN to/from Theobroma Speciosum (Plant) Rel Props:Reference:
295. Outgoing r'ship FOUND_IN to/from Thunbergia Grandiflora (Plant) Rel Props:Reference:
296. Outgoing r'ship FOUND_IN to/from Tinospora Tomentosa (Plant) Rel Props:Reference:
297. Outgoing r'ship FOUND_IN to/from Trema Tomentosa (Plant) Rel Props:Reference:
298. Outgoing r'ship FOUND_IN to/from Trigonella Grandiflora (Plant) Rel Props:Reference:
299. Outgoing r'ship FOUND_IN to/from Tropaeolum Speciosum (Plant) Rel Props:Reference:
300. Outgoing r'ship FOUND_IN to/from Uncaria Laevigata (Plant) Rel Props:Reference:
301. Outgoing r'ship FOUND_IN to/from Uncaria Tomentosa (Plant) Rel Props:Reference:
302. Outgoing r'ship FOUND_IN to/from Uvaria Grandiflora (Plant) Rel Props:Reference:
303. Outgoing r'ship FOUND_IN to/from Vasconcellea Pubescens (Plant) Rel Props:Reference:
304. Outgoing r'ship FOUND_IN to/from Viguiera Dentata (Plant) Rel Props:Reference:
305. Outgoing r'ship FOUND_IN to/from Vitis Tomentosa (Plant) Rel Props:Reference:
306. Outgoing r'ship FOUND_IN to/from Wrightia Tomentosa (Plant) Rel Props:Reference:
307. Outgoing r'ship FOUND_IN to/from Xantolis Tomentosa (Plant) Rel Props:Reference:
308. Outgoing r'ship FOUND_IN to/from Zataria Multiflora (Plant) Rel Props:Reference:
309. Outgoing r'ship FOUND_IN to/from Zephyranthes Grandiflora (Plant) Rel Props:Reference:

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Grayu

2alpha,3alpha,23-Trihydroxyolean-12-en-28-oic acid

Graph

Phytochemical Properties

Associated Connections 309

Plant Connections 309