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Lucidin

PubChem CID: 10163

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Compound Synonyms Lucidin, 478-08-0, Henine, 1,3-dihydroxy-2-(hydroxymethyl)anthracene-9,10-dione, Lucidin (quinone), 1,3-Dihydroxy-2-(hydroxymethyl)anthraquinone, NSC 30546, CCRIS 1642, HSDB 7146, BRN 1888954, UNII-60Q5564O9D, 1,3-Dihydroxy-2-hydroxymethylanthraquinoline, LUCIDIN [HSDB], NSC-30546, Anthraquinone, 1,3-dihydroxy-2-(hydroxymethyl)-, 60Q5564O9D, Lucidin (NSC 30546), 9,10-Anthracenedione, 1,3-dihydroxy-2-(hydroxymethyl)-, DTXSID10197278, 4-08-00-03576 (Beilstein Handbook Reference), ANTHRAQUINONE, 1,3-DIHYDROXY-2-HYDROXYMETHYL-, DIHYDROXY-2-(HYDROXYMETHYL)ANTHRAQUINONE, 1,3-, Madder root, Lucidin (Standard), MFCD01664482, SCHEMBL705681, CHEBI:6554, DTXCID20119769, GLXC-04460, BCP31463, NSC30546, FD5009, HY-15733R, AKOS027328039, CS-1555, FL74193, 9, 1,3-dihydroxy-2-(hydroxymethyl)-, 1,3Dihydroxy2(hydroxymethyl)anthraquinone, BS-16831, HY-15733, WLN: L C666 BV IVJ DQ E1Q FQ, DB-081419, Anthraquinone, 1,3dihydroxy2(hydroxymethyl), NS00094623, Anthraquinone,3-dihydroxy-2-(hydroxymethyl)-, 1,3-Dihydroxy-2-hydroxymethyl-9,10-anthraquinone, 9,10Anthracenedione, 1,3dihydroxy2(hydroxymethyl), Q27107238, 9,10Anthracenedione, 1,3dihydroxy2(hydroxymethyl) (9CI), 9,10-Anthracenedione, 1,3-dihydroxy-2-(hydroxymethyl)-(9CI), 1,3-dihydroxy-2-(hydroxymethyl)-9,10-dihydroanthracene-9,10-dione, NSC 30546, Henine, 1,3-Dihydroxy-2-(hydroxymethyl)anthraquinone
Ghose Rule True
Classyfire Kingdom Organic compounds
Topological Polar Surface Area 94.8
Hydrogen Bond Donor Count 3.0
Pfizer 3 75 Rule True
Scaffold Graph Level CC1C2CCCCC2C(C)C2CCCCC12
Np Classifier Class Anthraquinones and anthrones
Deep Smiles OCccO)cccc6O))C=O)ccC6=O))cccc6
Heavy Atom Count 20.0
Classyfire Class Anthracenes
Scaffold Graph Node Level OC1C2CCCCC2C(O)C2CCCCC12
Classyfire Subclass Anthraquinones
Isotope Atom Count 0.0
Molecular Complexity 420.0
Database Name cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem
Defined Atom Stereocenter Count 0.0
Iupac Name 1,3-dihydroxy-2-(hydroxymethyl)anthracene-9,10-dione
Prediction Hob 1.0
Veber Rule True
Classyfire Superclass Benzenoids
Xlogp 2.4
Gsk 4 400 Rule True
Molecular Formula C15H10O5
Scaffold Graph Node Bond Level O=C1c2ccccc2C(=O)c2ccccc21
Prediction Swissadme 0.0
Inchi Key AMIDUPFSOUCLQB-UHFFFAOYSA-N
Silicos It Class Soluble
Fcsp3 0.0666666666666666
Logs -3.669
Rotatable Bond Count 1.0
Logd 1.945
Synonyms lucidin
Esol Class Soluble
Functional Groups CO, cC(c)=O, cO
Compound Name Lucidin
Prediction Hob Swissadme 0.0
Exact Mass 270.053
Formal Charge 0.0
Monoisotopic Mass 270.053
Hydrogen Bond Acceptor Count 5.0
Molecular Weight 270.24
Gi Absorption True
Covalent Unit Count 1.0
Total Atom Stereocenter Count 0.0
Total Bond Stereocenter Count 0.0
Lipinski Rule Of 5 True
Esol -3.040088
Inchi InChI=1S/C15H10O5/c16-6-10-11(17)5-9-12(15(10)20)14(19)8-4-2-1-3-7(8)13(9)18/h1-5,16-17,20H,6H2
Smiles C1=CC=C2C(=C1)C(=O)C3=CC(=C(C(=C3C2=O)O)CO)O
Nring 3.0
Np Classifier Biosynthetic Pathway Polyketides
Defined Bond Stereocenter Count 0.0
Egan Rule True
Np Classifier Superclass Polycyclic aromatic polyketides

  • 1. Outgoing r'ship FOUND_IN to/from Alangium Platanifolium (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 2. Outgoing r'ship FOUND_IN to/from Asperula Odora (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 3. Outgoing r'ship FOUND_IN to/from Asperula Odorata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 4. Outgoing r'ship FOUND_IN to/from Croton Penduliflorus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 5. Outgoing r'ship FOUND_IN to/from Gynochthodes Umbellata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 6. Outgoing r'ship FOUND_IN to/from Hymenodictyon Excelsum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 7. Outgoing r'ship FOUND_IN to/from Hymenodictyon Orixense (Plant) Rel Props:Reference:ISBN:9788172361792; ISBN:9788185042084
  • 8. Outgoing r'ship FOUND_IN to/from Knoxia Valerianoides (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 9. Outgoing r'ship FOUND_IN to/from Litsea Konishii (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 10. Outgoing r'ship FOUND_IN to/from Lychnophora Columnaris (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 11. Outgoing r'ship FOUND_IN to/from Medicago Sativa (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 12. Outgoing r'ship FOUND_IN to/from Morinda Citrifolia (Plant) Rel Props:Reference:ISBN:9780896038776; ISBN:9788172361792
  • 13. Outgoing r'ship FOUND_IN to/from Morinda Umbellata (Plant) Rel Props:Source_db:npass_chem_all
  • 14. Outgoing r'ship FOUND_IN to/from Populus Tomentosa (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 15. Outgoing r'ship FOUND_IN to/from Rubia Akane (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 16. Outgoing r'ship FOUND_IN to/from Rubia Cordifolia (Plant) Rel Props:Reference:ISBN:9788171360536
  • 17. Outgoing r'ship FOUND_IN to/from Rubia Tinctorum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 18. Outgoing r'ship FOUND_IN to/from Rubia Wallichiana (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 19. Outgoing r'ship FOUND_IN to/from Vepris Louisii (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
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