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Girinimbine

PubChem CID: 96943

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Compound Synonyms Girinimbine, 23095-44-5, Girinimbin, 3,3,5-trimethyl-11H-pyrano[3,2-a]carbazole, NSC 94932, WH639V7QSF, MLS000863568, CHEBI:69926, NSC-94932, SMR000440762, 3,11-Dihydro-3,3,5-trimethyl-Pyrano(3,2-a)carbazole, Pyrano(3,2-a)carbazole, 3,11-dihydro-3,3,5-trimethyl-, 3,11-Dihydro-3,3,5-trimethylpyrano[3,2-a]carbazole, 9CI, 5,5,8-trimethyl-6-oxa-17-azatetracyclo[8.7.0.0^{2,7}.0^{11,16}]heptadeca-1,3,7,9,11,13,15-heptaene, 3,11-Dihydro-3,3,5-trimethylpyrano(3,2-a)carbazole, 9ci, Pyrano[3,2-a]carbazole, 3,11-dihydro-3,3,5-trimethyl-, C18H17NO, 5,5,8-trimethyl-6-oxa-17-azatetracyclo(8.7.0.0^(2,7).0^(11,16))heptadeca-1,3,7,9,11,13,15-heptaene, GRINIMIBINE, 3,3,5-trimethyl-3,11-dihydropyrano[3,2-a]carbazole, UNII-WH639V7QSF, cid_96943, MEGxp0_000255, SCHEMBL4132680, CHEMBL1477760, ACon1_001999, BDBM68168, DTXSID90945774, GAEQWKVGMHUUKO-UHFFFAOYSA-N, HMS2270D17, HY-N9488, NSC94932, YAA09544, AKOS040763158, DA-73737, MS-23714, CS-0181880, G14332, AK-693/40962733, 3,11-Dihydro-3,3,5-trimethylpyrano[3,2-a]carbazole, BRD-K08091267-001-01-2, Q25104278
Ghose Rule True
Classyfire Kingdom Organic compounds
Topological Polar Surface Area 25.0
Hydrogen Bond Donor Count 1.0
Pfizer 3 75 Rule False
Scaffold Graph Level C1CCC2C(C1)CC1C3CCCCC3CCC21
Np Classifier Class Carbazole alkaloids
Deep Smiles Ccccccc6OCC)C)C=C6))))))[nH]cc5cccc6
Heavy Atom Count 20.0
Classyfire Class Indoles and derivatives
Scaffold Graph Node Level C1CCC2C(C1)NC1C3CCCOC3CCC21
Classyfire Subclass Carbazoles
Isotope Atom Count 0.0
Molecular Complexity 416.0
Database Name cmaup_ingredients;hmdb_chem_all;imppat_phytochem;npass_chem_all;pubchem
Defined Atom Stereocenter Count 0.0
Uniprot Id P51151, P10636, O15118, P06746, O75164, Q16236, P17861, P04637, Q96QE3, P35639, Q9UIF8, P84022, P08659, O75496, P43220, Q77YF9, Q13526, P11308, Q9NUW8, Q13148, Q03431
Iupac Name 3,3,5-trimethyl-11H-pyrano[3,2-a]carbazole
Prediction Hob 1.0
Class Indoles and derivatives
Veber Rule True
Classyfire Superclass Organoheterocyclic compounds
Target Id NPT537, NPT51, NPT538, NPT59, NPT2892
Xlogp 4.7
Superclass Organoheterocyclic compounds
Subclass Carbazoles
Gsk 4 400 Rule False
Molecular Formula C18H17NO
Scaffold Graph Node Bond Level C1=Cc2c(ccc3c2[nH]c2ccccc23)OC1
Prediction Swissadme 0.0
Inchi Key GAEQWKVGMHUUKO-UHFFFAOYSA-N
Silicos It Class Poorly soluble
Fcsp3 0.2222222222222222
Logs -5.349
Rotatable Bond Count 0.0
State Solid
Logd 4.789
Synonyms 3,11-Dihydro-3,3,5-trimethyl-pyrano(3,2-a)carbazole, 3,11-Dihydro-3,3,5-trimethylpyrano[3,2-a]carbazole, 9ci, Girinimbin, NSC 94932, Girinimbine, girinimbine
Esol Class Moderately soluble
Functional Groups cC=CC, cOC, c[nH]c
Compound Name Girinimbine
Kingdom Organic compounds
Prediction Hob Swissadme 0.0
Exact Mass 263.131
Formal Charge 0.0
Monoisotopic Mass 263.131
Hydrogen Bond Acceptor Count 1.0
Molecular Weight 263.3
Gi Absorption True
Covalent Unit Count 1.0
Total Atom Stereocenter Count 0.0
Total Bond Stereocenter Count 0.0
Molecular Framework Aromatic heteropolycyclic compounds
Lipinski Rule Of 5 True
Esol -4.895808
Inchi InChI=1S/C18H17NO/c1-11-10-14-12-6-4-5-7-15(12)19-16(14)13-8-9-18(2,3)20-17(11)13/h4-10,19H,1-3H3
Smiles CC1=CC2=C(C3=C1OC(C=C3)(C)C)NC4=CC=CC=C42
Nring 4.0
Np Classifier Biosynthetic Pathway Alkaloids
Defined Bond Stereocenter Count 0.0
Egan Rule True
Taxonomy Direct Parent Carbazoles
Np Classifier Superclass Tryptophan alkaloids

  • 1. Outgoing r'ship FOUND_IN to/from Bulbine Asphodeloides (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 2. Outgoing r'ship FOUND_IN to/from Cicer Cuneatum (Plant) Rel Props:Source_db:npass_chem_all
  • 3. Outgoing r'ship FOUND_IN to/from Clausena Anisata (Plant) Rel Props:Reference:ISBN:9788172362133
  • 4. Outgoing r'ship FOUND_IN to/from Clausena Harmandiana (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 5. Outgoing r'ship FOUND_IN to/from Clausena Heptaphylla (Plant) Rel Props:Reference:ISBN:9788172362133; ISBN:9788185042084
  • 6. Outgoing r'ship FOUND_IN to/from Clausena Vestita (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 7. Outgoing r'ship FOUND_IN to/from Croton Hutchinsonianus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 8. Outgoing r'ship FOUND_IN to/from Delphinium Speciosum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 9. Outgoing r'ship FOUND_IN to/from Griselinia Scandens (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 10. Outgoing r'ship FOUND_IN to/from Gutenbergia Marginata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 11. Outgoing r'ship FOUND_IN to/from Helicia Erratica (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 12. Outgoing r'ship FOUND_IN to/from Hyptis Urticoides (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 13. Outgoing r'ship FOUND_IN to/from Ipomoea Carnea (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 14. Outgoing r'ship FOUND_IN to/from Iris Sanguinea (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 15. Outgoing r'ship FOUND_IN to/from Monachosorum Maximowiczii (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 16. Outgoing r'ship FOUND_IN to/from Murraya Koenigii (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 17. Outgoing r'ship FOUND_IN to/from Murraya Microphylla (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 18. Outgoing r'ship FOUND_IN to/from Murraya Paniculata (Plant) Rel Props:Reference:ISBN:9788172360818
  • 19. Outgoing r'ship FOUND_IN to/from Murraya Siamensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 20. Outgoing r'ship FOUND_IN to/from Nardia Scalaris (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 21. Outgoing r'ship FOUND_IN to/from Otholobium Pubescens (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 22. Outgoing r'ship FOUND_IN to/from Panax Ginseng (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 23. Outgoing r'ship FOUND_IN to/from Podocalyx Loranthoides (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 24. Outgoing r'ship FOUND_IN to/from Populus Candicans (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 25. Outgoing r'ship FOUND_IN to/from Rhododendron Edgeworthii (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 26. Outgoing r'ship FOUND_IN to/from Sarcophyton Infundibuliforme (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 27. Outgoing r'ship FOUND_IN to/from Trixis Grisebachii (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 28. Outgoing r'ship FOUND_IN to/from Yucca Elata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
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