(4aS,6aS,6bR,10S,12aR)-10-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid

PubChem CID: 3010929

Connections displayed (default: 10).

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Compound Synonyms	(4aS,6aS,6bR,10S,12aR)-10-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid, SR-01000721517, MFCD00064914, MLS000574839, CHEMBL365375, MEGxp0_000902, SCHEMBL12313106, ACon1_000081, CHEBI:181619, MIJYXULNPSFWEK-FQRDBSNUSA-N, US11266632, Compound 1, BDBM540811, HMS2203E04, AKOS016355979, NCGC00168812-01, NCGC00168812-02, SMR000156251, O0317, EN300-19635029, SR-01000721517-3, SR-01000721517-4, Olean-12-en-28-oic acid, 3-hydroxy-, (3b,5x,9x,18x)-, (4aS,6aS,6bR,10S,12aR)-10-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylic acid, NCGC00168812-02_C30H48O3_Olean-12-en-28-oic acid, 3-hydroxy-, (3beta,5xi,9xi,18xi)-
Topological Polar Surface Area	57.5
Hydrogen Bond Donor Count	2.0
Heavy Atom Count	33.0
Isotope Atom Count	0.0
Molecular Complexity	885.0
Database Name	cmaup_ingredients;npass_chem_all;pubchem
Defined Atom Stereocenter Count	5.0
Uniprot Id	P00811, P51450, P10520, P06746, Q9UNA4, Q8WZA2, P27695
Iupac Name	(4aS,6aS,6bR,10S,12aR)-10-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
Prediction Hob	1.0
Target Id	NPT59
Xlogp	7.5
Molecular Formula	C30H48O3
Prediction Swissadme	0.0
Inchi Key	MIJYXULNPSFWEK-FQRDBSNUSA-N
Fcsp3	0.9
Logs	-4.933
Rotatable Bond Count	1.0
Logd	4.781
Compound Name	(4aS,6aS,6bR,10S,12aR)-10-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
Prediction Hob Swissadme	0.0
Exact Mass	456.36
Formal Charge	0.0
Monoisotopic Mass	456.36
Hydrogen Bond Acceptor Count	3.0
Molecular Weight	456.7
Covalent Unit Count	1.0
Total Atom Stereocenter Count	8.0
Total Bond Stereocenter Count	0.0
Esol	-7.324308200000002
Inchi	InChI=1S/C30H48O3/c1-25(2)14-16-30(24(32)33)17-15-28(6)19(20(30)18-25)8-9-22-27(5)12-11-23(31)26(3,4)21(27)10-13-29(22,28)7/h8,20-23,31H,9-18H2,1-7H3,(H,32,33)/t20?,21?,22?,23-,27-,28+,29+,30-/m0/s1
Smiles	C[C@]12CC[C@@H](C(C1CC[C@@]3(C2CC=C4[C@]3(CC[C@@]5(C4CC(CC5)(C)C)C(=O)O)C)C)(C)C)O
Nring	5.0
Defined Bond Stereocenter Count	0.0

1. Outgoing r'ship FOUND_IN to/from Achyranthes Aspera (Plant) Rel Props:Reference:
2. Outgoing r'ship FOUND_IN to/from Achyranthes Bidentata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
3. Outgoing r'ship FOUND_IN to/from Achyranthes Fauriei (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
4. Outgoing r'ship FOUND_IN to/from Achyranthes Japonica (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
5. Outgoing r'ship FOUND_IN to/from Achyranthes Lanatalus (Plant) Rel Props:Reference:
6. Outgoing r'ship FOUND_IN to/from Achyranthes Obtusifolia (Plant) Rel Props:Reference:
7. Outgoing r'ship FOUND_IN to/from Aconitum Fauriei (Plant) Rel Props:Reference:
8. Outgoing r'ship FOUND_IN to/from Agrimonia Japonica (Plant) Rel Props:Reference:
9. Outgoing r'ship FOUND_IN to/from Agrimonia Pilosa (Plant) Rel Props:Reference:
10. Outgoing r'ship FOUND_IN to/from Alnus Japonica (Plant) Rel Props:Reference:
11. Outgoing r'ship FOUND_IN to/from Alpinia Japonica (Plant) Rel Props:Reference:
12. Outgoing r'ship FOUND_IN to/from Ampelopsis Japonica (Plant) Rel Props:Reference:
13. Outgoing r'ship FOUND_IN to/from Angelica Japonica (Plant) Rel Props:Reference:
14. Outgoing r'ship FOUND_IN to/from Ardisia Japonica (Plant) Rel Props:Reference:
15. Outgoing r'ship FOUND_IN to/from Artemisia Japonica (Plant) Rel Props:Reference:
16. Outgoing r'ship FOUND_IN to/from Atractylodes Japonica (Plant) Rel Props:Reference:
17. Outgoing r'ship FOUND_IN to/from Aucuba Japonica (Plant) Rel Props:Reference:
18. Outgoing r'ship FOUND_IN to/from Balanophora Japonica (Plant) Rel Props:Reference:
19. Outgoing r'ship FOUND_IN to/from Bazzania Japonica (Plant) Rel Props:Reference:
20. Outgoing r'ship FOUND_IN to/from Berberis Japonica (Plant) Rel Props:Reference:
21. Outgoing r'ship FOUND_IN to/from Betula Platyphylla (Plant) Rel Props:Reference:
22. Outgoing r'ship FOUND_IN to/from Boenninghausenia Albiflora (Plant) Rel Props:Reference:
23. Outgoing r'ship FOUND_IN to/from Caesalpinia Japonica (Plant) Rel Props:Reference:
24. Outgoing r'ship FOUND_IN to/from Callicarpa Japonica (Plant) Rel Props:Reference:
25. Outgoing r'ship FOUND_IN to/from Camellia Japonica (Plant) Rel Props:Reference:
26. Outgoing r'ship FOUND_IN to/from Cayratia Japonica (Plant) Rel Props:Reference:
27. Outgoing r'ship FOUND_IN to/from Chionographis Japonica (Plant) Rel Props:Reference:
28. Outgoing r'ship FOUND_IN to/from Cimicifuga Japonica (Plant) Rel Props:Reference:
29. Outgoing r'ship FOUND_IN to/from Citrus Japonica (Plant) Rel Props:Reference:
30. Outgoing r'ship FOUND_IN to/from Cleyera Japonica (Plant) Rel Props:Reference:
31. Outgoing r'ship FOUND_IN to/from Conyza Japonica (Plant) Rel Props:Reference:
32. Outgoing r'ship FOUND_IN to/from Coptis Japonica (Plant) Rel Props:Reference:
33. Outgoing r'ship FOUND_IN to/from Coriaria Japonica (Plant) Rel Props:Reference:
34. Outgoing r'ship FOUND_IN to/from Croomia Japonica (Plant) Rel Props:Reference:
35. Outgoing r'ship FOUND_IN to/from Cryptomeria Japonica (Plant) Rel Props:Reference:
36. Outgoing r'ship FOUND_IN to/from Cryptotaenia Japonica (Plant) Rel Props:Reference:
37. Outgoing r'ship FOUND_IN to/from Dioscorea Japonica (Plant) Rel Props:Reference:
38. Outgoing r'ship FOUND_IN to/from Diospyros Japonica (Plant) Rel Props:Reference:
39. Outgoing r'ship FOUND_IN to/from Eria Japonica (Plant) Rel Props:Reference:
40. Outgoing r'ship FOUND_IN to/from Eriobotrya Japonica (Plant) Rel Props:Reference:
41. Outgoing r'ship FOUND_IN to/from Euchresta Japonica (Plant) Rel Props:Reference:
42. Outgoing r'ship FOUND_IN to/from Eurya Japonica (Plant) Rel Props:Reference:
43. Outgoing r'ship FOUND_IN to/from Euscaphis Japonica (Plant) Rel Props:Reference:
44. Outgoing r'ship FOUND_IN to/from Forsythia Japonica (Plant) Rel Props:Reference:
45. Outgoing r'ship FOUND_IN to/from Fraxinus Japonica (Plant) Rel Props:Reference:
46. Outgoing r'ship FOUND_IN to/from Gentiana Japonica (Plant) Rel Props:Reference:
47. Outgoing r'ship FOUND_IN to/from Gleditsia Japonica (Plant) Rel Props:Reference:
48. Outgoing r'ship FOUND_IN to/from Gynura Japonica (Plant) Rel Props:Reference:
49. Outgoing r'ship FOUND_IN to/from Hemionitis Japonica (Plant) Rel Props:Reference:
50. Outgoing r'ship FOUND_IN to/from Hylomecon Japonica (Plant) Rel Props:Reference:
51. Outgoing r'ship FOUND_IN to/from Inula Japonica (Plant) Rel Props:Reference:
52. Outgoing r'ship FOUND_IN to/from Iris Japonica (Plant) Rel Props:Reference:
53. Outgoing r'ship FOUND_IN to/from Isodon Japonica (Plant) Rel Props:Reference:
54. Outgoing r'ship FOUND_IN to/from Justicia Japonica (Plant) Rel Props:Reference:
55. Outgoing r'ship FOUND_IN to/from Kadsura Japonica (Plant) Rel Props:Reference:
56. Outgoing r'ship FOUND_IN to/from Kerria Japonica (Plant) Rel Props:Reference:
57. Outgoing r'ship FOUND_IN to/from Korthalsella Japonica (Plant) Rel Props:Reference:
58. Outgoing r'ship FOUND_IN to/from Lonicera Japonica (Plant) Rel Props:Reference:
59. Outgoing r'ship FOUND_IN to/from Lophocolea Bidentata (Plant) Rel Props:Reference:
60. Outgoing r'ship FOUND_IN to/from Machilus Japonica (Plant) Rel Props:Reference:
61. Outgoing r'ship FOUND_IN to/from Maesa Japonica (Plant) Rel Props:Reference:
62. Outgoing r'ship FOUND_IN to/from Mentha Japonica (Plant) Rel Props:Reference:
63. Outgoing r'ship FOUND_IN to/from Metaplexis Japonica (Plant) Rel Props:Reference:
64. Outgoing r'ship FOUND_IN to/from Micromeria Japonica (Plant) Rel Props:Reference:
65. Outgoing r'ship FOUND_IN to/from Microtropis Japonica (Plant) Rel Props:Reference:
66. Outgoing r'ship FOUND_IN to/from Mosla Japonica (Plant) Rel Props:Reference:
67. Outgoing r'ship FOUND_IN to/from Murdannia Japonica (Plant) Rel Props:Reference:
68. Outgoing r'ship FOUND_IN to/from Ophiorrhiza Japonica (Plant) Rel Props:Reference:
69. Outgoing r'ship FOUND_IN to/from Orixa Japonica (Plant) Rel Props:Reference:
70. Outgoing r'ship FOUND_IN to/from Osmunda Japonica (Plant) Rel Props:Reference:
71. Outgoing r'ship FOUND_IN to/from Pieris Japonica (Plant) Rel Props:Reference:
72. Outgoing r'ship FOUND_IN to/from Plagiochila Acanthophylla (Plant) Rel Props:Reference:
73. Outgoing r'ship FOUND_IN to/from Prunus Japonica (Plant) Rel Props:Reference:
74. Outgoing r'ship FOUND_IN to/from Pseudotsuga Japonica (Plant) Rel Props:Reference:
75. Outgoing r'ship FOUND_IN to/from Pteris Fauriei (Plant) Rel Props:Reference:
76. Outgoing r'ship FOUND_IN to/from Pteris Japonica (Plant) Rel Props:Reference:
77. Outgoing r'ship FOUND_IN to/from Pyrola Japonica (Plant) Rel Props:Reference:
78. Outgoing r'ship FOUND_IN to/from Ranzania Japonica (Plant) Rel Props:Reference:
79. Outgoing r'ship FOUND_IN to/from Rhamnus Japonica (Plant) Rel Props:Reference:
80. Outgoing r'ship FOUND_IN to/from Rhododendron Fauriei (Plant) Rel Props:Reference:
81. Outgoing r'ship FOUND_IN to/from Rohdea Japonica (Plant) Rel Props:Reference:
82. Outgoing r'ship FOUND_IN to/from Sabia Japonica (Plant) Rel Props:Reference:
83. Outgoing r'ship FOUND_IN to/from Sagina Japonica (Plant) Rel Props:Reference:
84. Outgoing r'ship FOUND_IN to/from Salix Japonica (Plant) Rel Props:Reference:
85. Outgoing r'ship FOUND_IN to/from Saussurea Japonica (Plant) Rel Props:Reference:
86. Outgoing r'ship FOUND_IN to/from Scopolia Japonica (Plant) Rel Props:Reference:
87. Outgoing r'ship FOUND_IN to/from Skimmia Japonica (Plant) Rel Props:Reference:
88. Outgoing r'ship FOUND_IN to/from Sophora Japonica (Plant) Rel Props:Reference:
89. Outgoing r'ship FOUND_IN to/from Spergula Japonica (Plant) Rel Props:Reference:
90. Outgoing r'ship FOUND_IN to/from Spiraea Japonica (Plant) Rel Props:Reference:
91. Outgoing r'ship FOUND_IN to/from Stemona Japonica (Plant) Rel Props:Reference:
92. Outgoing r'ship FOUND_IN to/from Stephania Japonica (Plant) Rel Props:Reference:
93. Outgoing r'ship FOUND_IN to/from Swertia Alata (Plant) Rel Props:Reference:
94. Outgoing r'ship FOUND_IN to/from Swertia Angustifolia (Plant) Rel Props:Reference:
95. Outgoing r'ship FOUND_IN to/from Swertia Bimaculata (Plant) Rel Props:Reference:
96. Outgoing r'ship FOUND_IN to/from Swertia Calycina (Plant) Rel Props:Reference:
97. Outgoing r'ship FOUND_IN to/from Swertia Chinensis (Plant) Rel Props:Reference:
98. Outgoing r'ship FOUND_IN to/from Swertia Chirata (Plant) Rel Props:Reference:
99. Outgoing r'ship FOUND_IN to/from Swertia Chirayita (Plant) Rel Props:Reference:
100. Outgoing r'ship FOUND_IN to/from Swertia Ciliata (Plant) Rel Props:Reference:
101. Outgoing r'ship FOUND_IN to/from Swertia Cincta (Plant) Rel Props:Reference:
102. Outgoing r'ship FOUND_IN to/from Swertia Cordata (Plant) Rel Props:Reference:
103. Outgoing r'ship FOUND_IN to/from Swertia Corymbosa (Plant) Rel Props:Reference:
104. Outgoing r'ship FOUND_IN to/from Swertia Decora (Plant) Rel Props:Reference:
105. Outgoing r'ship FOUND_IN to/from Swertia Decussata (Plant) Rel Props:Reference:
106. Outgoing r'ship FOUND_IN to/from Swertia Delavayi (Plant) Rel Props:Reference:
107. Outgoing r'ship FOUND_IN to/from Swertia Densiflora (Plant) Rel Props:Reference:
108. Outgoing r'ship FOUND_IN to/from Swertia Dilatata (Plant) Rel Props:Reference:
109. Outgoing r'ship FOUND_IN to/from Swertia Erythrosticta (Plant) Rel Props:Reference:
110. Outgoing r'ship FOUND_IN to/from Swertia Fasciculata (Plant) Rel Props:Reference:
111. Outgoing r'ship FOUND_IN to/from Swertia Franchetiana (Plant) Rel Props:Reference:
112. Outgoing r'ship FOUND_IN to/from Swertia Hickinii (Plant) Rel Props:Reference:
113. Outgoing r'ship FOUND_IN to/from Swertia Japonica (Plant) Rel Props:Reference:
114. Outgoing r'ship FOUND_IN to/from Swertia Kouitchensis (Plant) Rel Props:Reference:
115. Outgoing r'ship FOUND_IN to/from Swertia Lawii (Plant) Rel Props:Reference:
116. Outgoing r'ship FOUND_IN to/from Swertia Leduci (Plant) Rel Props:Reference:
117. Outgoing r'ship FOUND_IN to/from Swertia Leducii (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
118. Outgoing r'ship FOUND_IN to/from Swertia Lloydioides (Plant) Rel Props:Reference:
119. Outgoing r'ship FOUND_IN to/from Swertia Macrosperma (Plant) Rel Props:Reference:
120. Outgoing r'ship FOUND_IN to/from Swertia Minor (Plant) Rel Props:Reference:
121. Outgoing r'ship FOUND_IN to/from Swertia Mussotii (Plant) Rel Props:Reference:
122. Outgoing r'ship FOUND_IN to/from Swertia Nervosa (Plant) Rel Props:Reference:
123. Outgoing r'ship FOUND_IN to/from Swertia Paniculata (Plant) Rel Props:Reference:
124. Outgoing r'ship FOUND_IN to/from Swertia Patens (Plant) Rel Props:Reference:
125. Outgoing r'ship FOUND_IN to/from Swertia Perennis (Plant) Rel Props:Reference:
126. Outgoing r'ship FOUND_IN to/from Swertia Petiolata (Plant) Rel Props:Reference:
127. Outgoing r'ship FOUND_IN to/from Swertia Pseudochinensis (Plant) Rel Props:Reference:
128. Outgoing r'ship FOUND_IN to/from Swertia Pubescens (Plant) Rel Props:Reference:
129. Outgoing r'ship FOUND_IN to/from Swertia Pulchella (Plant) Rel Props:Reference:
130. Outgoing r'ship FOUND_IN to/from Swertia Punctata (Plant) Rel Props:Reference:
131. Outgoing r'ship FOUND_IN to/from Swertia Punicea (Plant) Rel Props:Reference:
132. Outgoing r'ship FOUND_IN to/from Swertia Purpurascens (Plant) Rel Props:Reference:
133. Outgoing r'ship FOUND_IN to/from Swertia Randainensis (Plant) Rel Props:Reference:
134. Outgoing r'ship FOUND_IN to/from Swertia Spaciosa (Plant) Rel Props:Reference:
135. Outgoing r'ship FOUND_IN to/from Swertia Swertiopsis (Plant) Rel Props:Reference:
136. Outgoing r'ship FOUND_IN to/from Swertia Swertopsis (Plant) Rel Props:Reference:
137. Outgoing r'ship FOUND_IN to/from Swertia Thomsonii (Plant) Rel Props:Reference:
138. Outgoing r'ship FOUND_IN to/from Swertia Tosaensis (Plant) Rel Props:Reference:
139. Outgoing r'ship FOUND_IN to/from Ternstroemia Japonica (Plant) Rel Props:Reference:
140. Outgoing r'ship FOUND_IN to/from Thalictrum Fauriei (Plant) Rel Props:Reference:
141. Outgoing r'ship FOUND_IN to/from Tilia Japonica (Plant) Rel Props:Reference:
142. Outgoing r'ship FOUND_IN to/from Torilis Japonica (Plant) Rel Props:Reference:
143. Outgoing r'ship FOUND_IN to/from Trapa Japonica (Plant) Rel Props:Reference:
144. Outgoing r'ship FOUND_IN to/from Youngia Japonica (Plant) Rel Props:Reference:

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(4aS,6aS,6bR,10S,12aR)-10-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid

Graph

Phytochemical Properties

Associated Connections 144

Plant Connections 144