(+)-Hydrastine
PubChem CID: 656743
Connections displayed (default: 10).
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| Compound Synonyms | (+)-Hydrastine, 29617-43-4, (+)-beta-Hydrastine, Methylcorftaline, (1S,9R)-beta-Hydrastine, DTXSID1045611, CHEBI:33990, (1S,9R)-(+)-beta-Hydrastine, (3R)-6,7-dimethoxy-3-[(5S)-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-3H-2-benzofuran-1-one, NCGC00017332-05, DTXCID9025611, D-Beta-Hydrastine, 1(3H)-Isobenzofuranone, 6,7-dimethoxy-3-[(5S)-5,6,7,8-tetrahydro-6-methyl-1,3-dioxolo[4,5-g]isoquinolin-5-yl]-, (3R)-, CAS-29617-43-4, SR-01000075622, starbld0017061, 1S,9R-HYDRASTINE, Biomol-NT_000264, Lopac0_000606, MLS002153416, BPBio1_000991, SCHEMBL7813649, CHEMBL1441048, (1R,9S)-(-)-beta-Hydrastine, HMS2233C21, HMS3261J14, Tox21_110815, Tox21_500606, (+)-beta-Hydrastine 1(S),9(R), STL564712, AKOS024282590, Tox21_110815_1, CCG-204695, LP00606, SDCCGSBI-0050588.P002, (-)--Hydrastine, (1R,9S)--Hydrastine, NCGC00017326-05, NCGC00017332-02, NCGC00017332-06, NCGC00017332-07, NCGC00017332-08, NCGC00261291-01, SMR001230792, Certified Reference Material of Hydrastine, EU-0100606, H 8645, SR-01000075622-1, SR-01000075622-3, SR-01000075622-8, SR-01000075622-9, BRD-K95963688-001-01-7, Q27115728, SR-01000075622-10, (3R)-6,7-dimethoxy-3-[(5S)-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-2-benzofuran-1(3H)-one |
|---|---|
| Topological Polar Surface Area | 66.5 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 28.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 601.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Uniprot Id | P00811, O42275, P81908 |
| Iupac Name | (3R)-6,7-dimethoxy-3-[(5S)-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-3H-2-benzofuran-1-one |
| Prediction Hob | 1.0 |
| Xlogp | 2.7 |
| Molecular Formula | C21H21NO6 |
| Prediction Swissadme | 1.0 |
| Inchi Key | JZUTXVTYJDCMDU-RBUKOAKNSA-N |
| Fcsp3 | 0.3809523809523809 |
| Logs | -4.415 |
| Rotatable Bond Count | 3.0 |
| Logd | 2.631 |
| Compound Name | (+)-Hydrastine |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 383.137 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 383.137 |
| Hydrogen Bond Acceptor Count | 7.0 |
| Molecular Weight | 383.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.062422857142859 |
| Inchi | InChI=1S/C21H21NO6/c1-22-7-6-11-8-15-16(27-10-26-15)9-13(11)18(22)19-12-4-5-14(24-2)20(25-3)17(12)21(23)28-19/h4-5,8-9,18-19H,6-7,10H2,1-3H3/t18-,19+/m0/s1 |
| Smiles | CN1CCC2=CC3=C(C=C2[C@H]1[C@H]4C5=C(C(=C(C=C5)OC)OC)C(=O)O4)OCO3 |
| Nring | 5.0 |
| Defined Bond Stereocenter Count | 0.0 |
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FOUND_INto/from Agrimonia Japonica (Plant) Rel Props:Reference: - 6. Outgoing r'ship
FOUND_INto/from Agrimonia Pilosa (Plant) Rel Props:Reference: - 7. Outgoing r'ship
FOUND_INto/from Albizia Chinensis (Plant) Rel Props:Reference: - 8. Outgoing r'ship
FOUND_INto/from Albizzia Chinensis (Plant) Rel Props:Reference: - 9. Outgoing r'ship
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FOUND_INto/from Aloe Vera (Plant) Rel Props:Reference: - 11. Outgoing r'ship
FOUND_INto/from Alpinia Chinensis (Plant) Rel Props:Reference: - 12. Outgoing r'ship
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FOUND_INto/from Ampelopsis Japonica (Plant) Rel Props:Reference: - 14. Outgoing r'ship
FOUND_INto/from Angelica Japonica (Plant) Rel Props:Reference: - 15. Outgoing r'ship
FOUND_INto/from Anthocephalus Chinensis (Plant) Rel Props:Reference: - 16. Outgoing r'ship
FOUND_INto/from Aralia Chinensis (Plant) Rel Props:Reference: - 17. Outgoing r'ship
FOUND_INto/from Ardisia Japonica (Plant) Rel Props:Reference: - 18. Outgoing r'ship
FOUND_INto/from Artemisia Chinensis (Plant) Rel Props:Reference: - 19. Outgoing r'ship
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FOUND_INto/from Arundina Chinensis (Plant) Rel Props:Reference: - 21. Outgoing r'ship
FOUND_INto/from Astilbe Chinensis (Plant) Rel Props:Reference: - 22. Outgoing r'ship
FOUND_INto/from Atractylodes Chinensis (Plant) Rel Props:Reference: - 23. Outgoing r'ship
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FOUND_INto/from Aucuba Chinensis (Plant) Rel Props:Reference: - 25. Outgoing r'ship
FOUND_INto/from Aucuba Japonica (Plant) Rel Props:Reference: - 26. Outgoing r'ship
FOUND_INto/from Balanophora Japonica (Plant) Rel Props:Reference: - 27. Outgoing r'ship
FOUND_INto/from Bazzania Japonica (Plant) Rel Props:Reference: - 28. Outgoing r'ship
FOUND_INto/from Belamcanda Chinensis (Plant) Rel Props:Reference: - 29. Outgoing r'ship
FOUND_INto/from Berberis Japonica (Plant) Rel Props:Reference: - 30. Outgoing r'ship
FOUND_INto/from Betula Platyphylla (Plant) Rel Props:Reference: - 31. Outgoing r'ship
FOUND_INto/from Blumea Chinensis (Plant) Rel Props:Reference: - 32. Outgoing r'ship
FOUND_INto/from Boenninghausenia Albiflora (Plant) Rel Props:Reference: - 33. Outgoing r'ship
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FOUND_INto/from Breonia Chinensis (Plant) Rel Props:Reference: - 35. Outgoing r'ship
FOUND_INto/from Caesalpinia Japonica (Plant) Rel Props:Reference: - 36. Outgoing r'ship
FOUND_INto/from Callicarpa Japonica (Plant) Rel Props:Reference: - 37. Outgoing r'ship
FOUND_INto/from Camellia Japonica (Plant) Rel Props:Reference: - 38. Outgoing r'ship
FOUND_INto/from Cayratia Japonica (Plant) Rel Props:Reference: - 39. Outgoing r'ship
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FOUND_INto/from Clematis Chinensis (Plant) Rel Props:Reference: - 43. Outgoing r'ship
FOUND_INto/from Cleyera Japonica (Plant) Rel Props:Reference: - 44. Outgoing r'ship
FOUND_INto/from Coelogyne Stricta (Plant) Rel Props:Reference: - 45. Outgoing r'ship
FOUND_INto/from Conyza Japonica (Plant) Rel Props:Reference: - 46. Outgoing r'ship
FOUND_INto/from Conyza Stricta (Plant) Rel Props:Reference: - 47. Outgoing r'ship
FOUND_INto/from Coptis Chinensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 48. Outgoing r'ship
FOUND_INto/from Coptis Deltoidea (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 49. Outgoing r'ship
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FOUND_INto/from Corydalis Bungeanae (Plant) Rel Props:Reference: - 61. Outgoing r'ship
FOUND_INto/from Corydalis Calliantha (Plant) Rel Props:Reference: - 62. Outgoing r'ship
FOUND_INto/from Corydalis Cashmeriana (Plant) Rel Props:Reference: - 63. Outgoing r'ship
FOUND_INto/from Corydalis Caucasica (Plant) Rel Props:Reference: - 64. Outgoing r'ship
FOUND_INto/from Corydalis Cava (Plant) Rel Props:Reference: - 65. Outgoing r'ship
FOUND_INto/from Corydalis Chaerophylla (Plant) Rel Props:Reference: - 66. Outgoing r'ship
FOUND_INto/from Corydalis Cheilanthifolia (Plant) Rel Props:Reference: - 67. Outgoing r'ship
FOUND_INto/from Corydalis Claviculata (Plant) Rel Props:Reference: - 68. Outgoing r'ship
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FOUND_INto/from Corydalis Cornuta (Plant) Rel Props:Reference: - 70. Outgoing r'ship
FOUND_INto/from Corydalis Crystallina (Plant) Rel Props:Reference: - 71. Outgoing r'ship
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FOUND_INto/from Corydalis Govaniana (Plant) Rel Props:Reference: - 76. Outgoing r'ship
FOUND_INto/from Corydalis Incisa (Plant) Rel Props:Reference: - 77. Outgoing r'ship
FOUND_INto/from Corydalis Ledebouriana (Plant) Rel Props:Reference: - 78. Outgoing r'ship
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FOUND_INto/from Corydalis Marschalliana (Plant) Rel Props:Reference: - 82. Outgoing r'ship
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FOUND_INto/from Corydalis Mucronifera (Plant) Rel Props:Reference: - 85. Outgoing r'ship
FOUND_INto/from Corydalis Ochotensis (Plant) Rel Props:Reference: - 86. Outgoing r'ship
FOUND_INto/from Corydalis Ophiocarpa (Plant) Rel Props:Reference: - 87. Outgoing r'ship
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FOUND_INto/from Corydalis Racemosa (Plant) Rel Props:Reference: - 90. Outgoing r'ship
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FOUND_INto/from Corydalis Remota (Plant) Rel Props:Reference: - 92. Outgoing r'ship
FOUND_INto/from Corydalis Repens (Plant) Rel Props:Reference: - 93. Outgoing r'ship
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FOUND_INto/from Corydalis Stricta (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 101. Outgoing r'ship
FOUND_INto/from Corydalis Suaveolens (Plant) Rel Props:Reference: - 102. Outgoing r'ship
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FOUND_INto/from Dicliptera Chinensis (Plant) Rel Props:Reference: - 120. Outgoing r'ship
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FOUND_INto/from Eria Japonica (Plant) Rel Props:Reference: - 125. Outgoing r'ship
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FOUND_INto/from Forsythia Japonica (Plant) Rel Props:Reference: - 133. Outgoing r'ship
FOUND_INto/from Fraxinus Chinensis (Plant) Rel Props:Reference: - 134. Outgoing r'ship
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FOUND_INto/from Hylomecon Japonica (Plant) Rel Props:Reference: - 142. Outgoing r'ship
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FOUND_INto/from Isodon Japonica (Plant) Rel Props:Reference: - 148. Outgoing r'ship
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FOUND_INto/from Ixora Chinensis (Plant) Rel Props:Reference: - 150. Outgoing r'ship
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FOUND_INto/from Justicia Japonica (Plant) Rel Props:Reference: - 152. Outgoing r'ship
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FOUND_INto/from Klaseopsis Chinensis (Plant) Rel Props:Reference: - 155. Outgoing r'ship
FOUND_INto/from Korthalsella Japonica (Plant) Rel Props:Reference: - 156. Outgoing r'ship
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FOUND_INto/from Listea Chinensis (Plant) Rel Props:Reference: - 158. Outgoing r'ship
FOUND_INto/from Litchi Chinensis (Plant) Rel Props:Reference: - 159. Outgoing r'ship
FOUND_INto/from Lobelia Chinensis (Plant) Rel Props:Reference: - 160. Outgoing r'ship
FOUND_INto/from Lonicera Japonica (Plant) Rel Props:Reference: - 161. Outgoing r'ship
FOUND_INto/from Machilus Japonica (Plant) Rel Props:Reference: - 162. Outgoing r'ship
FOUND_INto/from Maesa Japonica (Plant) Rel Props:Reference: - 163. Outgoing r'ship
FOUND_INto/from Matsumurella Chinensis (Plant) Rel Props:Reference: - 164. Outgoing r'ship
FOUND_INto/from Mentha Japonica (Plant) Rel Props:Reference: - 165. Outgoing r'ship
FOUND_INto/from Metaplexis Japonica (Plant) Rel Props:Reference: - 166. Outgoing r'ship
FOUND_INto/from Micromeria Japonica (Plant) Rel Props:Reference: - 167. Outgoing r'ship
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FOUND_INto/from Mosla Chinensis (Plant) Rel Props:Reference: - 170. Outgoing r'ship
FOUND_INto/from Mosla Japonica (Plant) Rel Props:Reference: - 171. Outgoing r'ship
FOUND_INto/from Murdannia Japonica (Plant) Rel Props:Reference: - 172. Outgoing r'ship
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FOUND_INto/from Ophiorrhiza Japonica (Plant) Rel Props:Reference: - 174. Outgoing r'ship
FOUND_INto/from Opuntia Stricta (Plant) Rel Props:Reference: - 175. Outgoing r'ship
FOUND_INto/from Orixa Japonica (Plant) Rel Props:Reference: - 176. Outgoing r'ship
FOUND_INto/from Osbeckia Chinensis (Plant) Rel Props:Reference: - 177. Outgoing r'ship
FOUND_INto/from Osmunda Japonica (Plant) Rel Props:Reference: - 178. Outgoing r'ship
FOUND_INto/from Paederia Chinensis (Plant) Rel Props:Reference: - 179. Outgoing r'ship
FOUND_INto/from Persicaria Chinensis (Plant) Rel Props:Reference: - 180. Outgoing r'ship
FOUND_INto/from Pieris Japonica (Plant) Rel Props:Reference: - 181. Outgoing r'ship
FOUND_INto/from Pinalia Stricta (Plant) Rel Props:Reference: - 182. Outgoing r'ship
FOUND_INto/from Pistacia Chinensis (Plant) Rel Props:Reference: - 183. Outgoing r'ship
FOUND_INto/from Plagiochila Acanthophylla (Plant) Rel Props:Reference: - 184. Outgoing r'ship
FOUND_INto/from Polygala Chinensis (Plant) Rel Props:Reference: - 185. Outgoing r'ship
FOUND_INto/from Potentilla Chinensis (Plant) Rel Props:Reference: - 186. Outgoing r'ship
FOUND_INto/from Pothos Chinensis (Plant) Rel Props:Reference: - 187. Outgoing r'ship
FOUND_INto/from Prunus Japonica (Plant) Rel Props:Reference: - 188. Outgoing r'ship
FOUND_INto/from Pseudotsuga Japonica (Plant) Rel Props:Reference: - 189. Outgoing r'ship
FOUND_INto/from Pteris Japonica (Plant) Rel Props:Reference: - 190. Outgoing r'ship
FOUND_INto/from Pulsatilla Chinensis (Plant) Rel Props:Reference: - 191. Outgoing r'ship
FOUND_INto/from Pyrola Japonica (Plant) Rel Props:Reference: - 192. Outgoing r'ship
FOUND_INto/from Ranzania Japonica (Plant) Rel Props:Reference: - 193. Outgoing r'ship
FOUND_INto/from Rhamnus Japonica (Plant) Rel Props:Reference: - 194. Outgoing r'ship
FOUND_INto/from Rhazya Stricta (Plant) Rel Props:Reference: - 195. Outgoing r'ship
FOUND_INto/from Rhus Chinensis (Plant) Rel Props:Reference: - 196. Outgoing r'ship
FOUND_INto/from Rohdea Japonica (Plant) Rel Props:Reference: - 197. Outgoing r'ship
FOUND_INto/from Rosa Chinensis (Plant) Rel Props:Reference: - 198. Outgoing r'ship
FOUND_INto/from Sabia Japonica (Plant) Rel Props:Reference: - 199. Outgoing r'ship
FOUND_INto/from Sagina Japonica (Plant) Rel Props:Reference: - 200. Outgoing r'ship
FOUND_INto/from Salacia Chinensis (Plant) Rel Props:Reference: - 201. Outgoing r'ship
FOUND_INto/from Salix Japonica (Plant) Rel Props:Reference: - 202. Outgoing r'ship
FOUND_INto/from Saururus Chinensis (Plant) Rel Props:Reference: - 203. Outgoing r'ship
FOUND_INto/from Saussurea Japonica (Plant) Rel Props:Reference: - 204. Outgoing r'ship
FOUND_INto/from Schisandra Chinensis (Plant) Rel Props:Reference: - 205. Outgoing r'ship
FOUND_INto/from Scolopia Chinensis (Plant) Rel Props:Reference: - 206. Outgoing r'ship
FOUND_INto/from Scopolia Japonica (Plant) Rel Props:Reference: - 207. Outgoing r'ship
FOUND_INto/from Senecio Chinensis (Plant) Rel Props:Reference: - 208. Outgoing r'ship
FOUND_INto/from Simmondsia Chinensis (Plant) Rel Props:Reference: - 209. Outgoing r'ship
FOUND_INto/from Siphonostegia Chinensis (Plant) Rel Props:Reference: - 210. Outgoing r'ship
FOUND_INto/from Skimmia Japonica (Plant) Rel Props:Reference: - 211. Outgoing r'ship
FOUND_INto/from Solidago Chinensis (Plant) Rel Props:Reference: - 212. Outgoing r'ship
FOUND_INto/from Sophora Japonica (Plant) Rel Props:Reference: - 213. Outgoing r'ship
FOUND_INto/from Spergula Japonica (Plant) Rel Props:Reference: - 214. Outgoing r'ship
FOUND_INto/from Sphenomeris Chinensis (Plant) Rel Props:Reference: - 215. Outgoing r'ship
FOUND_INto/from Spiraea Japonica (Plant) Rel Props:Reference: - 216. Outgoing r'ship
FOUND_INto/from Stachys Chinensis (Plant) Rel Props:Reference: - 217. Outgoing r'ship
FOUND_INto/from Stauntonia Chinensis (Plant) Rel Props:Reference: - 218. Outgoing r'ship
FOUND_INto/from Stemona Japonica (Plant) Rel Props:Reference: - 219. Outgoing r'ship
FOUND_INto/from Stephania Japonica (Plant) Rel Props:Reference: - 220. Outgoing r'ship
FOUND_INto/from Swertia Chinensis (Plant) Rel Props:Reference: - 221. Outgoing r'ship
FOUND_INto/from Swertia Japonica (Plant) Rel Props:Reference: - 222. Outgoing r'ship
FOUND_INto/from Symplocos Chinensis (Plant) Rel Props:Reference: - 223. Outgoing r'ship
FOUND_INto/from Tamarix Chinensis (Plant) Rel Props:Reference: - 224. Outgoing r'ship
FOUND_INto/from Taxillus Chinensis (Plant) Rel Props:Reference: - 225. Outgoing r'ship
FOUND_INto/from Taxus Chinensis (Plant) Rel Props:Reference: - 226. Outgoing r'ship
FOUND_INto/from Ternstroemia Japonica (Plant) Rel Props:Reference: - 227. Outgoing r'ship
FOUND_INto/from Thermopsis Chinensis (Plant) Rel Props:Reference: - 228. Outgoing r'ship
FOUND_INto/from Tilia Japonica (Plant) Rel Props:Reference: - 229. Outgoing r'ship
FOUND_INto/from Torilis Japonica (Plant) Rel Props:Reference: - 230. Outgoing r'ship
FOUND_INto/from Trapa Japonica (Plant) Rel Props:Reference: - 231. Outgoing r'ship
FOUND_INto/from Trollius Chinensis (Plant) Rel Props:Reference: - 232. Outgoing r'ship
FOUND_INto/from Tsuga Chinensis (Plant) Rel Props:Reference: - 233. Outgoing r'ship
FOUND_INto/from Tupistra Chinensis (Plant) Rel Props:Reference: - 234. Outgoing r'ship
FOUND_INto/from Verbena Stricta (Plant) Rel Props:Reference: - 235. Outgoing r'ship
FOUND_INto/from Veronica Stricta (Plant) Rel Props:Reference: - 236. Outgoing r'ship
FOUND_INto/from Wedelia Chinensis (Plant) Rel Props:Reference: - 237. Outgoing r'ship
FOUND_INto/from Youngia Japonica (Plant) Rel Props:Reference: