Pisatin

PubChem CID: 101689

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Compound Synonyms	Pisatin, (+)-pisatin, 469-01-2, 6a-Hydroxy-3-methoxy-8,9-methylenedioxypterocarpan, V6L86DZ4N3, CHEMBL1784262, CHEBI:67347, (1R,12R)-16-methoxy-5,7,11,19-tetraoxapentacyclo[10.8.0.02,10.04,8.013,18]icosa-2,4(8),9,13(18),14,16-hexaen-1-ol, 6H-(1,3)Dioxolo(5,6)benzofuro(3,2-c)(1)benzopyran-6a(12aH)-ol, 3-methoxy-, (6aR-cis)-, 16-Methoxy-5,7,11,19-tetraoxapentacyclo[10.8.0.02,10.04,8.013,18]icosa-2,4(8),9,13(18),14,16-hexaen-1-ol, UNII-V6L86DZ4N3, (R,R)-PISATIN, PISATIN, (+)-, MEGxp0_001256, 6H-[1,3]Dioxolo[5,6]benzofuro[3,2-c][1]benzopyran-6a(12aH)-ol,3-methoxy-, (6aR,12aR)-, LZMRDTLRSDRUSU-SJORKVTESA-N, DTXSID301024898, BDBM50345340, LMPK12070126, (+)-(6AR,11AR)-PISATIN, NCGC00347650-02, DA-66753, FP137889, Q17325709, (6aR,cis)-6a-hydroxy-3-methoxy-8,9-methylenedioxy peterocarpan, (6aR,cis)-3-methoxy-6H-(1,3)dioxolo(3,2-c)(1)benzopyran-6a(12aH)-ol, (6aR,12aR)-3-methoxy-6H-[1.3]-dioxolo[5,6][1]benzofuro[3,2-c]chromen-6a(12aH)-ol, 6H-(1,3)DIOXOLO(5,6)BENZOFURO(3,2-C)(1)BENZOPYRAN-6A(12AH)-OL, 3-METHOXY-, (6AR,12AR)-, NCGC00347650-02_C17H14O6_6H-[1,3]Dioxolo[5,6]benzofuro[3,2-c][1]benzopyran-6a(12aH)-ol, 3-methoxy-, (6aR,12aR)-
Ghose Rule	True
Classyfire Kingdom	Organic compounds
Topological Polar Surface Area	66.4
Hydrogen Bond Donor Count	1.0
Pfizer 3 75 Rule	False
Scaffold Graph Level	C1CC2CC3CC4C5CCCCC5CCC4C3CC2C1
Np Classifier Class	Pterocarpan
Deep Smiles	COcccccc6)OC[C@][C@@H]6Occ5cccc6)OCO5))))))))))O
Heavy Atom Count	23.0
Classyfire Class	Isoflavonoids
Scaffold Graph Node Level	C1CCC2C(C1)OCC1C3CC4OCOC4CC3OC21
Classyfire Subclass	Furanoisoflavonoids
Isotope Atom Count	0.0
Molecular Complexity	472.0
Database Name	imppat_phytochem;npass_chem_all;pubchem
Defined Atom Stereocenter Count	2.0
Uniprot Id	P03372
Iupac Name	(1R,12R)-16-methoxy-5,7,11,19-tetraoxapentacyclo[10.8.0.02,10.04,8.013,18]icosa-2,4(8),9,13(18),14,16-hexaen-1-ol
Veber Rule	True
Classyfire Superclass	Phenylpropanoids and polyketides
Xlogp	1.7
Gsk 4 400 Rule	True
Molecular Formula	C17H14O6
Scaffold Graph Node Bond Level	c1ccc2c(c1)OCC1c3cc4c(cc3OC21)OCO4
Inchi Key	LZMRDTLRSDRUSU-SJORKVTESA-N
Silicos It Class	Moderately soluble
Rotatable Bond Count	1.0
Synonyms	(+)-pisatin, pisatin
Esol Class	Soluble
Functional Groups	CO, c1cOCO1, cOC
Compound Name	Pisatin
Exact Mass	314.079
Formal Charge	0.0
Monoisotopic Mass	314.079
Hydrogen Bond Acceptor Count	6.0
Molecular Weight	314.29
Gi Absorption	True
Covalent Unit Count	1.0
Total Atom Stereocenter Count	2.0
Total Bond Stereocenter Count	0.0
Lipinski Rule Of 5	True
Inchi	InChI=1S/C17H14O6/c1-19-9-2-3-10-12(4-9)20-7-17(18)11-5-14-15(22-8-21-14)6-13(11)23-16(10)17/h2-6,16,18H,7-8H2,1H3/t16-,17+/m1/s1
Smiles	COC1=CC2=C(C=C1)[C@@H]3[C@](CO2)(C4=CC5=C(C=C4O3)OCO5)O
Np Classifier Biosynthetic Pathway	Shikimates and Phenylpropanoids
Defined Bond Stereocenter Count	0.0
Egan Rule	True
Np Classifier Superclass	Isoflavonoids

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67. Outgoing r'ship FOUND_IN to/from Aconitum Subcuneatum (Plant) Rel Props:Reference:
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80. Outgoing r'ship FOUND_IN to/from Aconitum Zuccarini (Plant) Rel Props:Reference:
81. Outgoing r'ship FOUND_IN to/from Adina Cordifolia (Plant) Rel Props:Reference:
82. Outgoing r'ship FOUND_IN to/from Adina Racemosa (Plant) Rel Props:Reference:
83. Outgoing r'ship FOUND_IN to/from Adina Rubescens (Plant) Rel Props:Reference:
84. Outgoing r'ship FOUND_IN to/from Adina Sessilifolia (Plant) Rel Props:Reference:
85. Outgoing r'ship FOUND_IN to/from Adina Trichotoma (Plant) Rel Props:Reference:
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87. Outgoing r'ship FOUND_IN to/from Ardisia Humilis (Plant) Rel Props:Reference:
88. Outgoing r'ship FOUND_IN to/from Argemone Mexicana (Plant) Rel Props:Reference:
89. Outgoing r'ship FOUND_IN to/from Argemone Ochroleuca (Plant) Rel Props:Reference:
90. Outgoing r'ship FOUND_IN to/from Argemone Subfusiformis (Plant) Rel Props:Reference:
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92. Outgoing r'ship FOUND_IN to/from Bergia Capensis (Plant) Rel Props:Reference:
93. Outgoing r'ship FOUND_IN to/from Brachiaria Ramosa (Plant) Rel Props:Reference:
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187. Outgoing r'ship FOUND_IN to/from Pisum Sativum (Plant) Rel Props:Reference:https://doi.org/10.2174/0929867033456729
188. Outgoing r'ship FOUND_IN to/from Prunus Humilis (Plant) Rel Props:Reference:
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190. Outgoing r'ship FOUND_IN to/from Scorzonera Humilis (Plant) Rel Props:Reference:
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199. Outgoing r'ship FOUND_IN to/from Shorea Uliginosa (Plant) Rel Props:Reference:
200. Outgoing r'ship FOUND_IN to/from Stevia Polycephala (Plant) Rel Props:Reference:
201. Outgoing r'ship FOUND_IN to/from Tamilnadia Uliginosa (Plant) Rel Props:Reference:
202. Outgoing r'ship FOUND_IN to/from Tecoma Capensis (Plant) Rel Props:Reference:
203. Outgoing r'ship FOUND_IN to/from Tephrosia Apollinea (Plant) Rel Props:Reference:
204. Outgoing r'ship FOUND_IN to/from Tephrosia Candida (Plant) Rel Props:Source_db:npass_chem_all
205. Outgoing r'ship FOUND_IN to/from Tephrosia Falciformis (Plant) Rel Props:Reference:
206. Outgoing r'ship FOUND_IN to/from Tephrosia Maxima (Plant) Rel Props:Reference:
207. Outgoing r'ship FOUND_IN to/from Tephrosia Pumila (Plant) Rel Props:Reference:
208. Outgoing r'ship FOUND_IN to/from Tephrosia Purpurea (Plant) Rel Props:Reference:
209. Outgoing r'ship FOUND_IN to/from Tephrosia Spinosa (Plant) Rel Props:Reference:
210. Outgoing r'ship FOUND_IN to/from Tephrosia Uniflora (Plant) Rel Props:Reference:
211. Outgoing r'ship FOUND_IN to/from Tephrosia Villosa (Plant) Rel Props:Reference:
212. Outgoing r'ship FOUND_IN to/from Tephrosia Vogelii (Plant) Rel Props:Reference:
213. Outgoing r'ship FOUND_IN to/from Turraea Obtusifolia (Plant) Rel Props:Reference:
214. Outgoing r'ship FOUND_IN to/from Vellozia Candida (Plant) Rel Props:Reference:
215. Outgoing r'ship FOUND_IN to/from Vicia Sativa (Plant) Rel Props:Reference:
216. Outgoing r'ship FOUND_IN to/from Xeromphis Uliginosa (Plant) Rel Props:Reference:
217. Outgoing r'ship FOUND_IN to/from Zaluzianskya Capensis (Plant) Rel Props:Reference:
218. Outgoing r'ship FOUND_IN to/from Zephyranthes Candida (Plant) Rel Props:Reference:
219. Outgoing r'ship FOUND_IN to/from Ziziphus Sativa (Plant) Rel Props:Reference:

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Phytochemical Properties

Associated Connections 219

Plant Connections 219