Naphtho(2,3-c)furan-1(3H)-one, 3a,4,9,9a-tetrahydro-4,6,7-trihydroxy-9-(4-hydroxy-3,5-dimethoxyphenyl)-, (3aR,4R,9R,9aR)-

PubChem CID: 468863

Connections displayed (default: 10).

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Compound Synonyms	138456-90-3, Naphtho(2,3-c)furan-1(3H)-one, 3a,4,9,9a-tetrahydro-4,6,7-trihydroxy-9-(4-hydroxy-3,5-dimethoxyphenyl)-, (3aR,4R,9R,9aR)-, DTXSID30160681, Naphtho[2,3-c]furan-1(3H)-one, 3a,4,9,9a-tetrahydro-4,6,7-trihydroxy-9-(4-hydroxy-3,5-dimethoxyphenyl)-, (3aR,4R,9R,9aR)-, CHEMBL99342, DTXCID5083172, (3aR,4R,9R,9aR)-4,6,7-trihydroxy-9-(4-hydroxy-3,5-dimethoxy-phenyl)-3a,4,9,9a-tetrahydro-3H-benzo[f]isobenzofuran-1-one
Topological Polar Surface Area	126.0
Hydrogen Bond Donor Count	4.0
Heavy Atom Count	28.0
Isotope Atom Count	0.0
Molecular Complexity	571.0
Database Name	cmaup_ingredients;npass_chem_all;pubchem
Defined Atom Stereocenter Count	4.0
Iupac Name	(3aR,4R,9R,9aR)-4,6,7-trihydroxy-9-(4-hydroxy-3,5-dimethoxyphenyl)-3a,4,9,9a-tetrahydro-3H-benzo[f][2]benzofuran-1-one
Prediction Hob	1.0
Xlogp	1.2
Molecular Formula	C20H20O8
Prediction Swissadme	1.0
Inchi Key	SMPCOLOECPREKW-MJQACMKBSA-N
Fcsp3	0.35
Logs	-3.544
Rotatable Bond Count	3.0
Logd	0.832
Compound Name	Naphtho(2,3-c)furan-1(3H)-one, 3a,4,9,9a-tetrahydro-4,6,7-trihydroxy-9-(4-hydroxy-3,5-dimethoxyphenyl)-, (3aR,4R,9R,9aR)-
Prediction Hob Swissadme	1.0
Exact Mass	388.116
Formal Charge	0.0
Monoisotopic Mass	388.116
Hydrogen Bond Acceptor Count	8.0
Molecular Weight	388.4
Covalent Unit Count	1.0
Total Atom Stereocenter Count	4.0
Total Bond Stereocenter Count	0.0
Esol	-3.097849257142858
Inchi	InChI=1S/C20H20O8/c1-26-14-3-8(4-15(27-2)19(14)24)16-9-5-12(21)13(22)6-10(9)18(23)11-7-28-20(25)17(11)16/h3-6,11,16-18,21-24H,7H2,1-2H3/t11-,16+,17-,18-/m0/s1
Smiles	COC1=CC(=CC(=C1O)OC)[C@H]2[C@@H]3[C@H](COC3=O)[C@H](C4=CC(=C(C=C24)O)O)O
Nring	4.0
Defined Bond Stereocenter Count	0.0

1. Outgoing r'ship FOUND_IN to/from Acacia Sinuata (Plant) Rel Props:Reference:
2. Outgoing r'ship FOUND_IN to/from Cornus Capitata (Plant) Rel Props:Reference:
3. Outgoing r'ship FOUND_IN to/from Cuscuta Capitata (Plant) Rel Props:Reference:
4. Outgoing r'ship FOUND_IN to/from Cyathula Capitata (Plant) Rel Props:Reference:
5. Outgoing r'ship FOUND_IN to/from Dendrocnide Sinuata (Plant) Rel Props:Reference:
6. Outgoing r'ship FOUND_IN to/from Dimorphotheca Aurantiaca (Plant) Rel Props:Reference:
7. Outgoing r'ship FOUND_IN to/from Dimorphotheca Sinuata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
8. Outgoing r'ship FOUND_IN to/from Hyptis Capitata (Plant) Rel Props:Reference:
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10. Outgoing r'ship FOUND_IN to/from Lobelia Cardinalis (Plant) Rel Props:Reference:
11. Outgoing r'ship FOUND_IN to/from Malachra Capitata (Plant) Rel Props:Reference:
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19. Outgoing r'ship FOUND_IN to/from Schefflera Arboricola (Plant) Rel Props:Reference:
20. Outgoing r'ship FOUND_IN to/from Schefflera Bodinieri (Plant) Rel Props:Reference:
21. Outgoing r'ship FOUND_IN to/from Schefflera Capitata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
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64. Outgoing r'ship FOUND_IN to/from Senecio Macrocephalus (Plant) Rel Props:Reference:
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66. Outgoing r'ship FOUND_IN to/from Senecio Madagascariensis (Plant) Rel Props:Reference:
67. Outgoing r'ship FOUND_IN to/from Senecio Mexicanus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
68. Outgoing r'ship FOUND_IN to/from Senecio Microglossus (Plant) Rel Props:Reference:
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72. Outgoing r'ship FOUND_IN to/from Senecio Oryzetorum (Plant) Rel Props:Reference:
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74. Outgoing r'ship FOUND_IN to/from Senecio Paludaffinis (Plant) Rel Props:Reference:
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78. Outgoing r'ship FOUND_IN to/from Senecio Polyodon (Plant) Rel Props:Reference:
79. Outgoing r'ship FOUND_IN to/from Senecio Praecox (Plant) Rel Props:Reference:
80. Outgoing r'ship FOUND_IN to/from Senecio Pyramidatus (Plant) Rel Props:Reference:
81. Outgoing r'ship FOUND_IN to/from Senecio Quinquelobus (Plant) Rel Props:Reference:
82. Outgoing r'ship FOUND_IN to/from Senecio Renardii (Plant) Rel Props:Reference:
83. Outgoing r'ship FOUND_IN to/from Senecio Retrorsus (Plant) Rel Props:Reference:
84. Outgoing r'ship FOUND_IN to/from Senecio Rivularis (Plant) Rel Props:Reference:
85. Outgoing r'ship FOUND_IN to/from Senecio Roseus (Plant) Rel Props:Reference:
86. Outgoing r'ship FOUND_IN to/from Senecio Rosmarinifolius (Plant) Rel Props:Reference:
87. Outgoing r'ship FOUND_IN to/from Senecio Rufinervis (Plant) Rel Props:Reference:
88. Outgoing r'ship FOUND_IN to/from Senecio Rupestris (Plant) Rel Props:Reference:
89. Outgoing r'ship FOUND_IN to/from Senecio Ruwenzoriensis (Plant) Rel Props:Reference:
90. Outgoing r'ship FOUND_IN to/from Senecio Sandersonii (Plant) Rel Props:Reference:
91. Outgoing r'ship FOUND_IN to/from Senecio Scandens (Plant) Rel Props:Reference:
92. Outgoing r'ship FOUND_IN to/from Senecio Sinuatus (Plant) Rel Props:Reference:
93. Outgoing r'ship FOUND_IN to/from Senecio Speciosus (Plant) Rel Props:Reference:
94. Outgoing r'ship FOUND_IN to/from Senecio Squalidus (Plant) Rel Props:Reference:
95. Outgoing r'ship FOUND_IN to/from Senecio Suaveolens (Plant) Rel Props:Reference:
96. Outgoing r'ship FOUND_IN to/from Senecio Subdentatus (Plant) Rel Props:Reference:
97. Outgoing r'ship FOUND_IN to/from Senecio Taiwanensis (Plant) Rel Props:Reference:
98. Outgoing r'ship FOUND_IN to/from Senecio Tenuifolius (Plant) Rel Props:Reference:
99. Outgoing r'ship FOUND_IN to/from Senecio Tibeticus (Plant) Rel Props:Reference:
100. Outgoing r'ship FOUND_IN to/from Senecio Toluccanus (Plant) Rel Props:Reference:
101. Outgoing r'ship FOUND_IN to/from Senecio Tricephalus (Plant) Rel Props:Reference:
102. Outgoing r'ship FOUND_IN to/from Senecio Variabilis (Plant) Rel Props:Reference:
103. Outgoing r'ship FOUND_IN to/from Senecio Vellereus (Plant) Rel Props:Reference:
104. Outgoing r'ship FOUND_IN to/from Senecio Viscosus (Plant) Rel Props:Reference:
105. Outgoing r'ship FOUND_IN to/from Senecio Vulgaris (Plant) Rel Props:Reference:
106. Outgoing r'ship FOUND_IN to/from Senecio Zoellneri (Plant) Rel Props:Reference:
107. Outgoing r'ship FOUND_IN to/from Sinopodophyllum Emodi (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
108. Outgoing r'ship FOUND_IN to/from Sinopodophyllum Hexandrum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
109. Outgoing r'ship FOUND_IN to/from Thymbra Capitata (Plant) Rel Props:Reference:
110. Outgoing r'ship FOUND_IN to/from Trigonella Emodi (Plant) Rel Props:Reference:
111. Outgoing r'ship FOUND_IN to/from Urena Sinuata (Plant) Rel Props:Reference:
112. Outgoing r'ship FOUND_IN to/from Ziziphora Capitata (Plant) Rel Props:Reference:

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Naphtho(2,3-c)furan-1(3H)-one, 3a,4,9,9a-tetrahydro-4,6,7-trihydroxy-9-(4-hydroxy-3,5-dimethoxyphenyl)-, (3aR,4R,9R,9aR)-

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Phytochemical Properties

Associated Connections 112

Plant Connections 112