Salvianolic acid A

PubChem CID: 5281793

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Compound Synonyms	Salvianolic acid A, 96574-01-5, SALVIANOLIC ACID, Dan Phenolic Acid A, (R)-3-(3,4-Dihydroxyphenyl)-2-(((E)-3-(2-((E)-3,4-dihydroxystyryl)-3,4-dihydroxyphenyl)acryloyl)oxy)propanoic acid, (+)-Salvianolic acid A, (2R)-3-(3,4-dihydroxyphenyl)-2-[(E)-3-[2-[(E)-2-(3,4-dihydroxyphenyl)ethenyl]-3,4-dihydroxyphenyl]prop-2-enoyl]oxypropanoic acid, Salvianolic-acid-A, CHEMBL457077, CHEBI:9017, 51622542XO, MFCD20527310, AC1NQZ3H, Danshen, UNII-51622542XO, Sal A, MFCD08458447, Dan phenolic acid A hydrate, Salvianolic acid A (Standard), SCHEMBL19235589, EX-A8013D, GTPL13093, HY-N0318R, DTXSID701316580, BCP15440, HY-N0318, BDBM50414250, s9055, AKOS016009674, CCG-269648, DB15246, FS73769, Salvianolic acid A, analytical standard, (2R)-3-(3,4-dihydroxyphenyl)-2-[(E)-3-[2-[(E)-2-(3,4-dihydroxyphenyl)vinyl]-3,4-dihydroxy-phenyl]prop-2-enoyl]oxy-propanoic acid, 1ST40005, AS-75007, DA-77662, CS-0008816, Q27108214, (2R)-3-(3,4-dihydroxyphenyl)-2-{[(2E)-3-{2-[(1E)-2-(3,4-dihydroxyphenyl)ethenyl]-3,4-dihydroxyphenyl}prop-2-enoyl]oxy}propanoic acid, (alphaR)-alpha-[[(2E)-3-[2-[(1E)-2-(3,4-Dihydroxyphenyl)ethenyl]-3,4-dihydroxyphenyl]-1-oxo-2-propen-1-yl]oxy]-3,4-dihydroxybenzenepropanoic Acid, (R)-3-(3,4-Dihydroxyphenyl)-2-(((E)-3-(2-((E)-3,4-dihydroxystyryl)-3,4-dihydroxyphenyl)acryloyl)oxy)propanoicacid, BENZENEPROPANOIC ACID, .ALPHA.-(((2E)-3-(2-((1E)-2-(3,4-DIHYDROXYPHENYL)ETHENYL)-3,4-DIHYDROXYPHENYL)-1-OXO-2-PROPENYL)OXY)-3,4-DIHYDROXY-, (.ALPHA.R)-, BENZENEPROPANOIC ACID, .ALPHA.-((3-(2-(2-(3,4-DIHYDROXYPHENYL)ETHENYL)-3,4-DIHYDROXYPHENYL)-1-OXO-2-PROPENYL)OXY)-3,4-DIHYDROXY-, (R-(E,E))-, Benzenepropanoic acid, alpha-((3-(2-(2-(3,4-dihydroxyphenyl)ethenyl)-3,4-dihydroxyphenyl)-1-oxo-2-propenyl)oxy)-3,4-dihydroxy-, (R-(E,E))-
Ghose Rule	False
Classyfire Kingdom	Organic compounds
Topological Polar Surface Area	185.0
Hydrogen Bond Donor Count	7.0
Pfizer 3 75 Rule	False
Scaffold Graph Level	CC(CCCC1CCCCC1)CCC1CCCCC1CCC1CCCCC1
Np Classifier Class	Monomeric stilbenes, Stilbenolignans
Deep Smiles	O=CO[C@@H]C=O)O))Ccccccc6)O))O))))))))/C=C/cccccc6/C=C/cccccc6)O))O))))))))O))O
Heavy Atom Count	36.0
Classyfire Class	Stilbenes
Scaffold Graph Node Level	OC(CCC1CCCCC1CCC1CCCCC1)OCCC1CCCCC1
Isotope Atom Count	0.0
Molecular Complexity	798.0
Database Name	cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem
Defined Atom Stereocenter Count	1.0
Uniprot Id	n.a., P06239, P12931, P42224, P40763, P51692, P00915, P00918, P22748, P43166, O43570, P22002
Iupac Name	(2R)-3-(3,4-dihydroxyphenyl)-2-[(E)-3-[2-[(E)-2-(3,4-dihydroxyphenyl)ethenyl]-3,4-dihydroxyphenyl]prop-2-enoyl]oxypropanoic acid
Prediction Hob	0.0
Veber Rule	False
Classyfire Superclass	Phenylpropanoids and polyketides
Target Id	NPT13, NPT36, NPT233, NPT1062, NPT955, NPT949
Xlogp	3.9
Gsk 4 400 Rule	False
Molecular Formula	C26H22O10
Scaffold Graph Node Bond Level	O=C(C=Cc1ccccc1C=Cc1ccccc1)OCCc1ccccc1
Prediction Swissadme	0.0
Inchi Key	YMGFTDKNIWPMGF-UCPJVGPRSA-N
Silicos It Class	Soluble
Fcsp3	0.0769230769230769
Logs	-3.203
Rotatable Bond Count	9.0
Logd	2.494
Synonyms	salvianolic acid, salvianolic acid a
Esol Class	Moderately soluble
Functional Groups	CC(=O)O, c/C=C/C(=O)OC, c/C=C/c, cO
Compound Name	Salvianolic acid A
Prediction Hob Swissadme	0.0
Exact Mass	494.121
Formal Charge	0.0
Monoisotopic Mass	494.121
Hydrogen Bond Acceptor Count	10.0
Molecular Weight	494.4
Gi Absorption	False
Covalent Unit Count	1.0
Total Atom Stereocenter Count	1.0
Total Bond Stereocenter Count	2.0
Lipinski Rule Of 5	True
Esol	-5.151202400000001
Inchi	InChI=1S/C26H22O10/c27-18-7-2-14(11-21(18)30)1-6-17-16(4-9-20(29)25(17)33)5-10-24(32)36-23(26(34)35)13-15-3-8-19(28)22(31)12-15/h1-12,23,27-31,33H,13H2,(H,34,35)/b6-1+,10-5+/t23-/m1/s1
Smiles	C1=CC(=C(C=C1C[C@H](C(=O)O)OC(=O)/C=C/C2=C(C(=C(C=C2)O)O)/C=C/C3=CC(=C(C=C3)O)O)O)O
Nring	3.0
Np Classifier Biosynthetic Pathway	Shikimates and Phenylpropanoids
Defined Bond Stereocenter Count	2.0
Egan Rule	False
Np Classifier Superclass	Stilbenoids, Lignans

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81. Outgoing r'ship FOUND_IN to/from Impatiens Chinensis (Plant) Rel Props:Reference:
82. Outgoing r'ship FOUND_IN to/from Inula Britannica (Plant) Rel Props:Reference:
83. Outgoing r'ship FOUND_IN to/from Iris Lactea (Plant) Rel Props:Reference:
84. Outgoing r'ship FOUND_IN to/from Ixeris Chinensis (Plant) Rel Props:Reference:
85. Outgoing r'ship FOUND_IN to/from Ixora Chinensis (Plant) Rel Props:Reference:
86. Outgoing r'ship FOUND_IN to/from Juniperus Chinensis (Plant) Rel Props:Reference:
87. Outgoing r'ship FOUND_IN to/from Klaseopsis Chinensis (Plant) Rel Props:Reference:
88. Outgoing r'ship FOUND_IN to/from Launaea Sarmentosa (Plant) Rel Props:Reference:
89. Outgoing r'ship FOUND_IN to/from Lespedeza Tomentosa (Plant) Rel Props:Reference:
90. Outgoing r'ship FOUND_IN to/from Listea Chinensis (Plant) Rel Props:Reference:
91. Outgoing r'ship FOUND_IN to/from Litchi Chinensis (Plant) Rel Props:Reference:
92. Outgoing r'ship FOUND_IN to/from Lobelia Chinensis (Plant) Rel Props:Reference:
93. Outgoing r'ship FOUND_IN to/from Matsumurella Chinensis (Plant) Rel Props:Reference:
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95. Outgoing r'ship FOUND_IN to/from Mentha Longifolia (Plant) Rel Props:Reference:https://www.ncbi.nlm.nih.gov/pubmed/21391480
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160. Outgoing r'ship FOUND_IN to/from Salvia Officinalis (Plant) Rel Props:Reference:ISBN:9788185042145
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194. Outgoing r'ship FOUND_IN to/from Scolopia Chinensis (Plant) Rel Props:Reference:
195. Outgoing r'ship FOUND_IN to/from Senecio Chinensis (Plant) Rel Props:Reference:
196. Outgoing r'ship FOUND_IN to/from Simmondsia Chinensis (Plant) Rel Props:Reference:
197. Outgoing r'ship FOUND_IN to/from Siphonostegia Chinensis (Plant) Rel Props:Reference:
198. Outgoing r'ship FOUND_IN to/from Solidago Chinensis (Plant) Rel Props:Reference:
199. Outgoing r'ship FOUND_IN to/from Sophora Tomentosa (Plant) Rel Props:Reference:
200. Outgoing r'ship FOUND_IN to/from Sorbaria Tomentosa (Plant) Rel Props:Reference:
201. Outgoing r'ship FOUND_IN to/from Sphenomeris Chinensis (Plant) Rel Props:Reference:
202. Outgoing r'ship FOUND_IN to/from Stachys Chinensis (Plant) Rel Props:Reference:
203. Outgoing r'ship FOUND_IN to/from Stauntonia Chinensis (Plant) Rel Props:Reference:
204. Outgoing r'ship FOUND_IN to/from Strychnos Tomentosa (Plant) Rel Props:Reference:
205. Outgoing r'ship FOUND_IN to/from Swertia Chinensis (Plant) Rel Props:Reference:
206. Outgoing r'ship FOUND_IN to/from Symplocos Chinensis (Plant) Rel Props:Reference:
207. Outgoing r'ship FOUND_IN to/from Tamarix Chinensis (Plant) Rel Props:Reference:
208. Outgoing r'ship FOUND_IN to/from Taxillus Chinensis (Plant) Rel Props:Reference:
209. Outgoing r'ship FOUND_IN to/from Taxus Chinensis (Plant) Rel Props:Reference:
210. Outgoing r'ship FOUND_IN to/from Terminalia Tomentosa (Plant) Rel Props:Reference:
211. Outgoing r'ship FOUND_IN to/from Tetracera Sarmentosa (Plant) Rel Props:Reference:
212. Outgoing r'ship FOUND_IN to/from Thermopsis Chinensis (Plant) Rel Props:Reference:
213. Outgoing r'ship FOUND_IN to/from Tinospora Tomentosa (Plant) Rel Props:Reference:
214. Outgoing r'ship FOUND_IN to/from Tournefortia Argentea (Plant) Rel Props:Reference:
215. Outgoing r'ship FOUND_IN to/from Tournefortia Ovata (Plant) Rel Props:Reference:
216. Outgoing r'ship FOUND_IN to/from Tournefortia Sarmentosa (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
217. Outgoing r'ship FOUND_IN to/from Trema Tomentosa (Plant) Rel Props:Reference:
218. Outgoing r'ship FOUND_IN to/from Trollius Chinensis (Plant) Rel Props:Reference:
219. Outgoing r'ship FOUND_IN to/from Tsuga Chinensis (Plant) Rel Props:Reference:
220. Outgoing r'ship FOUND_IN to/from Tupistra Chinensis (Plant) Rel Props:Reference:
221. Outgoing r'ship FOUND_IN to/from Uncaria Tomentosa (Plant) Rel Props:Reference:
222. Outgoing r'ship FOUND_IN to/from Vitis Tomentosa (Plant) Rel Props:Reference:
223. Outgoing r'ship FOUND_IN to/from Wedelia Chinensis (Plant) Rel Props:Reference:
224. Outgoing r'ship FOUND_IN to/from Wrightia Tomentosa (Plant) Rel Props:Reference:
225. Outgoing r'ship FOUND_IN to/from Xantolis Tomentosa (Plant) Rel Props:Reference:

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Grayu

Salvianolic acid A

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Phytochemical Properties

Associated Connections 225

Plant Connections 225