Epsilon-pyrromycinone

PubChem CID: 159908

Connections displayed (default: 10).

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Compound Synonyms	Rutilantinone, Epsilon-pyrromycinone, 1-hydroxyaklavinone, Eta-Pyrromycinon, 21288-61-9, Rutilantinon, Antibiotic MA 144D2, PYRROMYCINONE, EPSILON, Galirubine, MA 144D2, epsilon-pyrromy-cinone, NSC 114778, Spectrum_000795, Spectrum2_000452, Spectrum3_001155, Spectrum4_001432, Spectrum5_000284, BSPBio_002709, KBioGR_001904, KBioSS_001275, SPECTRUM201606, SPBio_000524, CHEMBL3039086, KBio2_001275, KBio2_003843, KBio2_006411, KBio3_002209, CHEBI:108590, RWCVSDKDFSVZNF-KRYGIPSASA-N, HMS1923A07, CCG-38694, SDCCGMLS-0066382.P001, NCGC00178516-01, 1-Naphthacenecarboxylic acid, 1,2,3,4,6,11-hexahydro-2-ethyl-2,4,5,7,10-pentahydroxy-6,11-dioxo-, methyl ester, (1R,2R,4S)-, 1-Naphthacenecarboxylic acid, 2-ethyl-1,2,3,4,6,11-hexahydro-2,4,5,7,10-pentahydroxy-6,11-dioxo-, methyl ester, (1R,2R,4S)-, methyl (1R,2R,4S)-2-ethyl-2,4,5,7,10-pentahydroxy-6,11-dioxo-3,4-dihydro-1H-tetracene-1-carboxylate, SR-05000002666, SR-05000002666-1, BRD-K11258719-001-03-2, Q27187513, (1R,2R,4S)-2-ethyl-2,4,5,7,10-pentahydroxy-6,11-dioxo-3,4-dihydro-1H-tetracene-1-carboxylic acid methyl ester
Topological Polar Surface Area	162.0
Hydrogen Bond Donor Count	5.0
Heavy Atom Count	31.0
Isotope Atom Count	0.0
Molecular Complexity	768.0
Database Name	cmaup_ingredients;npass_chem_all;pubchem
Defined Atom Stereocenter Count	3.0
Uniprot Id	Q9Y6L6, Q9NPD5
Iupac Name	methyl (1R,2R,4S)-2-ethyl-2,4,5,7,10-pentahydroxy-6,11-dioxo-3,4-dihydro-1H-tetracene-1-carboxylate
Prediction Hob	1.0
Xlogp	2.7
Molecular Formula	C22H20O9
Prediction Swissadme	0.0
Inchi Key	RWCVSDKDFSVZNF-KRYGIPSASA-N
Fcsp3	0.3181818181818182
Logs	-3.519
Rotatable Bond Count	3.0
Logd	1.777
Compound Name	Epsilon-pyrromycinone
Prediction Hob Swissadme	0.0
Exact Mass	428.111
Formal Charge	0.0
Monoisotopic Mass	428.111
Hydrogen Bond Acceptor Count	9.0
Molecular Weight	428.4
Covalent Unit Count	1.0
Total Atom Stereocenter Count	3.0
Total Bond Stereocenter Count	0.0
Esol	-4.253988212903227
Inchi	InChI=1S/C22H20O9/c1-3-22(30)7-12(25)13-8(17(22)21(29)31-2)6-9-14(19(13)27)20(28)16-11(24)5-4-10(23)15(16)18(9)26/h4-6,12,17,23-25,27,30H,3,7H2,1-2H3/t12-,17-,22+/m0/s1
Smiles	CC[C@]1(C[C@@H](C2=C(C3=C(C=C2[C@H]1C(=O)OC)C(=O)C4=C(C=CC(=C4C3=O)O)O)O)O)O
Nring	4.0
Defined Bond Stereocenter Count	0.0

1. Outgoing r'ship FOUND_IN to/from Abutilon Avicennae (Plant) Rel Props:Reference:
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63. Outgoing r'ship FOUND_IN to/from Justicia Paniculata (Plant) Rel Props:Reference:
64. Outgoing r'ship FOUND_IN to/from Koelreuteria Paniculata (Plant) Rel Props:Reference:
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80. Outgoing r'ship FOUND_IN to/from Rosa Brunonii (Plant) Rel Props:Reference:
81. Outgoing r'ship FOUND_IN to/from Rosa Canina (Plant) Rel Props:Reference:
82. Outgoing r'ship FOUND_IN to/from Rosa Centifolia (Plant) Rel Props:Reference:
83. Outgoing r'ship FOUND_IN to/from Rosa Chinensis (Plant) Rel Props:Reference:
84. Outgoing r'ship FOUND_IN to/from Rosa Cymosa (Plant) Rel Props:Reference:
85. Outgoing r'ship FOUND_IN to/from Rosa Damascena (Plant) Rel Props:Reference:
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87. Outgoing r'ship FOUND_IN to/from Rosa Davurica (Plant) Rel Props:Reference:
88. Outgoing r'ship FOUND_IN to/from Rosa Eglanteria (Plant) Rel Props:Reference:
89. Outgoing r'ship FOUND_IN to/from Rosa Foetida (Plant) Rel Props:Reference:
90. Outgoing r'ship FOUND_IN to/from Rosa Gallica (Plant) Rel Props:Reference:
91. Outgoing r'ship FOUND_IN to/from Rosa Henryi (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
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97. Outgoing r'ship FOUND_IN to/from Rosa Multiflora (Plant) Rel Props:Reference:
98. Outgoing r'ship FOUND_IN to/from Rosa Pomifera (Plant) Rel Props:Reference:
99. Outgoing r'ship FOUND_IN to/from Rosa Roxburghii (Plant) Rel Props:Reference:
100. Outgoing r'ship FOUND_IN to/from Rosa Rubra (Plant) Rel Props:Reference:
101. Outgoing r'ship FOUND_IN to/from Rosa Rugosa (Plant) Rel Props:Reference:
102. Outgoing r'ship FOUND_IN to/from Rosa Sericea (Plant) Rel Props:Reference:
103. Outgoing r'ship FOUND_IN to/from Rosa Sinesis (Plant) Rel Props:Reference:
104. Outgoing r'ship FOUND_IN to/from Rosa Transmorrisonensis (Plant) Rel Props:Reference:
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107. Outgoing r'ship FOUND_IN to/from Rubus Rosa (Plant) Rel Props:Reference:
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114. Outgoing r'ship FOUND_IN to/from Terminalia Paniculata (Plant) Rel Props:Reference:
115. Outgoing r'ship FOUND_IN to/from Teucrium Bidentatum (Plant) Rel Props:Reference:
116. Outgoing r'ship FOUND_IN to/from Valeriana Amurensis (Plant) Rel Props:Reference:
117. Outgoing r'ship FOUND_IN to/from Valeriana Cardamines (Plant) Rel Props:Reference:
118. Outgoing r'ship FOUND_IN to/from Valeriana Dubia (Plant) Rel Props:Reference:
119. Outgoing r'ship FOUND_IN to/from Valeriana Fedtschenkoi (Plant) Rel Props:Reference:
120. Outgoing r'ship FOUND_IN to/from Valeriana Hardwickii (Plant) Rel Props:Reference:
121. Outgoing r'ship FOUND_IN to/from Valeriana Jatamansi (Plant) Rel Props:Reference:
122. Outgoing r'ship FOUND_IN to/from Valeriana Jatamansii (Plant) Rel Props:Reference:
123. Outgoing r'ship FOUND_IN to/from Valeriana Laxiflora (Plant) Rel Props:Reference:
124. Outgoing r'ship FOUND_IN to/from Valeriana Leschenaultia (Plant) Rel Props:Reference:
125. Outgoing r'ship FOUND_IN to/from Valeriana Microphylla (Plant) Rel Props:Reference:
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134. Outgoing r'ship FOUND_IN to/from Viscum Monoicum (Plant) Rel Props:Reference:
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136. Outgoing r'ship FOUND_IN to/from Viscum Nepalense (Plant) Rel Props:Reference:
137. Outgoing r'ship FOUND_IN to/from Viscum Orientale (Plant) Rel Props:Reference:
138. Outgoing r'ship FOUND_IN to/from Vitex Paniculata (Plant) Rel Props:Reference:
139. Outgoing r'ship FOUND_IN to/from Wendlandia Paniculata (Plant) Rel Props:Reference:

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Epsilon-pyrromycinone

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Phytochemical Properties

Associated Connections 139

Plant Connections 139