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.

7-Methoxyheptaphylline

PubChem CID: 189688

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

Compound Synonyms 7-methoxyheptaphylline, 119736-84-4, CHEBI:69928, 2-hydroxy-7-methoxy-1-(3-methylbut-2-enyl)-9H-carbazole-3-carbaldehyde, CHEMBL464275, DTXSID90152567, DTXCID7075058, BDBM50496395, Q27138272
Topological Polar Surface Area 62.3
Hydrogen Bond Donor Count 2.0
Heavy Atom Count 23.0
Isotope Atom Count 0.0
Molecular Complexity 460.0
Database Name cmaup_ingredients;npass_chem_all;pubchem
Defined Atom Stereocenter Count 0.0
Uniprot Id n.a., P06276
Iupac Name 2-hydroxy-7-methoxy-1-(3-methylbut-2-enyl)-9H-carbazole-3-carbaldehyde
Prediction Hob 1.0
Xlogp 4.9
Molecular Formula C19H19NO3
Prediction Swissadme 0.0
Inchi Key RJWKVZMWLOWCMX-UHFFFAOYSA-N
Fcsp3 0.2105263157894736
Logs -3.952
Rotatable Bond Count 4.0
Logd 3.559
Compound Name 7-Methoxyheptaphylline
Prediction Hob Swissadme 0.0
Exact Mass 309.136
Formal Charge 0.0
Monoisotopic Mass 309.136
Hydrogen Bond Acceptor Count 3.0
Molecular Weight 309.4
Covalent Unit Count 1.0
Total Atom Stereocenter Count 0.0
Total Bond Stereocenter Count 0.0
Esol -5.0245238695652175
Inchi InChI=1S/C19H19NO3/c1-11(2)4-6-15-18-16(8-12(10-21)19(15)22)14-7-5-13(23-3)9-17(14)20-18/h4-5,7-10,20,22H,6H2,1-3H3
Smiles CC(=CCC1=C(C(=CC2=C1NC3=C2C=CC(=C3)OC)C=O)O)C
Nring 3.0
Defined Bond Stereocenter Count 0.0