This website is for informational and educational purposes only. Please do not self-medicate; contact a medical professional for advice before administration. This website is for informational and educational purposes only. Please do not self-medicate; contact a medical professional for advice before administration.

Atherospermidine

PubChem CID: 77514

Connections displayed (default: 10).
Loading graph...

ℹ️ Click here to know more about the properties
Compound Synonyms Atherospermidine, 3912-57-0, Antherospermidine, Liriodenine, 3-methoxy-, E21QMO70E2, NSC 93680, NSC-93680, 4-Methoxy-8H-[1,3]benzodioxolo[6,5,4-de]benzo[g]quinolin-8-one, UNII-E21QMO70E2, Noraporphin-7-one, 4,5,6,6a-tetradehydro-3-methoxy-1,2-(methylenedioxy)-, CHEBI:28780, DTXSID40192372, 4-methoxy-8H-benzo(g)-1,3-benzodioxolo(6,5,4-de)quinolin-8-one, 7-methoxy-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1,6,8(20),9,11,14,16,18-octaen-13-one, 4,5,6,6a-tetradehydro-3-methoxy-1,2-(methylenedioxy)-noraporphin-7-one, 8H-Benzo(g)-1,3-benzodioxolo(6,5,4-de)quinolin-8-one, 4-methoxy-, 8H-Benzo[g]-1,3-benzodioxolo[6,5,4-de]quinolin-8-one, 4-methoxy-, 8H-Benzo(g)-1,3-benzodioxolo(6,5,4-de)quinolin-8-one, 4-methoxy- (9CI), 4-methoxy-8H-(1,3)benzodioxolo(6,5,4-de)benzo(g)quinolin-8-one, 4-Methoxy-8H-benzo[g]-1,3-benzodioxolo[6,5,4-de]quinolin-8-one, 7-methoxy-3,5-dioxa-11-azapentacyclo(10.7.1.02,6.08,20.014,19)icosa-1,6,8(20),9,11,14,16,18-octaen-13-one, SCHEMBL6690046, CHEMBL4845964, DTXCID50114863, NSC93680, 8H-Benzo[g]-1,3-benzodioxolo[6,5,4-de]quinolin-8-one,4-methoxy-, AKOS040750621, DS-009277, NS00113966, C09347, 8H-Benzo[g]-1,5,4-de]quinolin-8-one, 4-methoxy-, Q27103894, 4-Methoxy-8H-[1,3]benzodioxolo[6,5,4-de]benzo[g]quinolin-8-one #, 8H-Benzo(g)-1,3-benzodioxolo(6,5,4-de)quinolin-8-one, 4-methoxy-(9CI), Noraporphin-7-one,5,6,6a-tetradehydro-3-methoxy-1,2-(methylenedioxy)-, Noraporphin-7-one, 4,5,6,6a-tetradehydro-3-methoxy-1,2-(methylenedioxy)-(8CI)
Ghose Rule True
Classyfire Kingdom Organic compounds
Topological Polar Surface Area 57.7
Hydrogen Bond Donor Count 0.0
Pfizer 3 75 Rule False
Scaffold Graph Level CC1C2CCCCC2C2C3CCCC3CC3CCCC1C32
Np Classifier Class Aporphine alkaloids, Isoquinoline alkaloids
Deep Smiles COccOCOc5c-cccccc6C=O)cc%10c%17ccn6
Heavy Atom Count 23.0
Classyfire Class Aporphines
Scaffold Graph Node Level OC1C2CCCCC2C2C3OCOC3CC3CCNC1C32
Isotope Atom Count 0.0
Molecular Complexity 497.0
Database Name cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem
Defined Atom Stereocenter Count 0.0
Iupac Name 7-methoxy-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1,6,8(20),9,11,14,16,18-octaen-13-one
Prediction Hob 1.0
Veber Rule True
Classyfire Superclass Alkaloids and derivatives
Xlogp 3.4
Gsk 4 400 Rule True
Molecular Formula C18H11NO4
Scaffold Graph Node Bond Level O=C1c2ccccc2-c2c3c(cc4ccnc1c24)OCO3
Prediction Swissadme 0.0
Inchi Key MDFFNDBAEOHIDY-UHFFFAOYSA-N
Silicos It Class Poorly soluble
Fcsp3 0.1111111111111111
Logs -5.904
Rotatable Bond Count 1.0
Logd 2.966
Synonyms atherospermidine
Esol Class Moderately soluble
Functional Groups c1cOCO1, cC(c)=O, cOC, cnc
Compound Name Atherospermidine
Prediction Hob Swissadme 0.0
Exact Mass 305.069
Formal Charge 0.0
Monoisotopic Mass 305.069
Hydrogen Bond Acceptor Count 5.0
Molecular Weight 305.3
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 -4.298374408695653
Inchi InChI=1S/C18H11NO4/c1-21-16-11-6-7-19-14-12(11)13(17-18(16)23-8-22-17)9-4-2-3-5-10(9)15(14)20/h2-7H,8H2,1H3
Smiles COC1=C2C(=C3C4=CC=CC=C4C(=O)C5=NC=CC1=C35)OCO2
Nring 5.0
Np Classifier Biosynthetic Pathway Alkaloids
Defined Bond Stereocenter Count 0.0
Egan Rule True
Np Classifier Superclass Tyrosine alkaloids

  • 1. Outgoing r'ship FOUND_IN to/from Alstonia Angustiloba (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 2. Outgoing r'ship FOUND_IN to/from Annona Cherimola (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 3. Outgoing r'ship FOUND_IN to/from Artabotrys Hexapetalus (Plant) Rel Props:Reference:ISBN:9788172362089
  • 4. Outgoing r'ship FOUND_IN to/from Artemisia Pectinata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 5. Outgoing r'ship FOUND_IN to/from Baccharis Grandicapitulata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 6. Outgoing r'ship FOUND_IN to/from Beesia Calthifolia (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 7. Outgoing r'ship FOUND_IN to/from Boschniakia Rossica (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 8. Outgoing r'ship FOUND_IN to/from Botrychium Ternatum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 9. Outgoing r'ship FOUND_IN to/from Bursera Kerberi (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 10. Outgoing r'ship FOUND_IN to/from Clerodendrum Trichotomum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 11. Outgoing r'ship FOUND_IN to/from Clinacanthus Nutans (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 12. Outgoing r'ship FOUND_IN to/from Coffea Liberica (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 13. Outgoing r'ship FOUND_IN to/from Crotalaria Stolzii (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 14. Outgoing r'ship FOUND_IN to/from Curcuma Aeruginosa (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 15. Outgoing r'ship FOUND_IN to/from Delphinium Giraldii (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 16. Outgoing r'ship FOUND_IN to/from Eucalyptus Albens (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 17. Outgoing r'ship FOUND_IN to/from Euonymus Fortunei (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 18. Outgoing r'ship FOUND_IN to/from Euploca Racemosa (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 19. Outgoing r'ship FOUND_IN to/from Gutierrezia Dracunculoides (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 20. Outgoing r'ship FOUND_IN to/from Hedysarum Gmelini (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 21. Outgoing r'ship FOUND_IN to/from Helenium Integrifolium (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 22. Outgoing r'ship FOUND_IN to/from Juniperus Scopulorum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 23. Outgoing r'ship FOUND_IN to/from Lasianthaea Podocephala (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 24. Outgoing r'ship FOUND_IN to/from Lupinus Cosentinii (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 25. Outgoing r'ship FOUND_IN to/from Melampodium Leucanthum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 26. Outgoing r'ship FOUND_IN to/from Morella Pensylvanica (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 27. Outgoing r'ship FOUND_IN to/from Papaver Pseudocanescens (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 28. Outgoing r'ship FOUND_IN to/from Pellacalyx Axillaris (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 29. Outgoing r'ship FOUND_IN to/from Phlomis Crinita (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 30. Outgoing r'ship FOUND_IN to/from Piper Brachystachyum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 31. Outgoing r'ship FOUND_IN to/from Psidium Acutangulum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 32. Outgoing r'ship FOUND_IN to/from Renealmia Alpinia (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 33. Outgoing r'ship FOUND_IN to/from Rhododendron Mucronulatum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 34. Outgoing r'ship FOUND_IN to/from Selinum Libanotis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 35. Outgoing r'ship FOUND_IN to/from Senecio Congestus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 36. Outgoing r'ship FOUND_IN to/from Sideritis Dasygnaphala (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 37. Outgoing r'ship FOUND_IN to/from Stellaria Media (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 38. Outgoing r'ship FOUND_IN to/from Tephroseris Kirilowii (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 39. Outgoing r'ship FOUND_IN to/from Zephyranthes Flava (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
Back to Browse   Back to Home