Coulteropine
PubChem CID: 371260
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | Coulteropine, Cowlteropine, 6014-62-6, NSC645319, 5-methoxy-15-methyl-7,9,19,21-tetraoxa-15-azapentacyclo[15.7.0.04,12.06,10.018,22]tetracosa-1(17),4,6(10),11,18(22),23-hexaen-3-one, 4,6,7,14-Tetrahydro-12-methoxy-5-methylbis[1,3]benzodioxolo[4,5-c, Coulteropine (neutral), CHEMBL1980707, SWBXJEKOHMOEFV-UHFFFAOYSA-N, HY-N8916, AKOS040761538, NSC-645319, 14-Methoxy-7-methyl-6,8,9,16-tetrahydrodi[1,3]benzodioxolo[4,5-c:5,6-g]azecin-15(7H)-one, 7,13a-Secoberbin-13a-one, 1-methoxy-7-methyl-2,3:9,10-bis(methylenedioxy)-, Bis[1,3]benzodioxolo[4,5-c:5',6'-g]azecin-13(5H)-one, 4,6,7,14-tetrahydro-12-methoxy-5-methyl-, DA-62473, NCI60_015456, CS-0149365, 14-Methoxy-7-methyl-6,8,9,16-tetrahydrodi[1,3]benzodioxolo[4,5-c:5,6-g]azecin-15(7H)-one # |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 66.5 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | CC1CC2CCC3CCCC3C2CCCCC2CC3CCCC3CC12 |
| Np Classifier Class | Isoquinoline alkaloids, Protopine alkaloids |
| Deep Smiles | COcccCCNC)CccCC%10=O)))cccc6OCO5)))))))))))))ccc6OCO5 |
| Heavy Atom Count | 28.0 |
| Classyfire Class | Protopine alkaloids |
| Scaffold Graph Node Level | OC1CC2CCC3OCOC3C2CNCCC2CC3OCOC3CC12 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 587.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5-methoxy-15-methyl-7,9,19,21-tetraoxa-15-azapentacyclo[15.7.0.04,12.06,10.018,22]tetracosa-1(17),4,6(10),11,18(22),23-hexaen-3-one |
| Veber Rule | True |
| Classyfire Superclass | Alkaloids and derivatives |
| Xlogp | 2.8 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C21H21NO6 |
| Scaffold Graph Node Bond Level | O=C1Cc2ccc3c(c2CNCCc2cc4c(cc21)OCO4)OCO3 |
| Inchi Key | SWBXJEKOHMOEFV-UHFFFAOYSA-N |
| Silicos It Class | Moderately soluble |
| Rotatable Bond Count | 1.0 |
| Synonyms | coulteropine |
| Esol Class | Moderately soluble |
| Functional Groups | CN(C)C, c1cOCO1, cC(C)=O, cOC |
| Compound Name | Coulteropine |
| Exact Mass | 383.137 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 383.137 |
| Hydrogen Bond Acceptor Count | 7.0 |
| Molecular Weight | 383.4 |
| 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 |
| Inchi | InChI=1S/C21H21NO6/c1-22-6-5-13-8-17-20(28-11-26-17)21(24-2)18(13)15(23)7-12-3-4-16-19(14(12)9-22)27-10-25-16/h3-4,8H,5-7,9-11H2,1-2H3 |
| Smiles | CN1CCC2=CC3=C(C(=C2C(=O)CC4=C(C1)C5=C(C=C4)OCO5)OC)OCO3 |
| Np Classifier Biosynthetic Pathway | Alkaloids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Tyrosine alkaloids |
- 1. Outgoing r'ship
FOUND_INto/from Papaver Rhoeas (Plant) Rel Props:Reference:ISBN:9788172362461; ISBN:9788185042145 - 2. Outgoing r'ship
FOUND_INto/from Papaver Somniferum (Plant) Rel Props:Reference:ISBN:9788185042145