6-Angeloyloxy-7-methoxy-2,2-dimethylchromene
PubChem CID: 129847932
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | 6-angeloyloxy-7-methoxy-2,2-dimethylchromene |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 44.8 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCC2CCCCC2C1 |
| Np Classifier Class | Merohemiterpenoids |
| Deep Smiles | C/C=CC=O)OcccC=CCOc6cc%10OC))))))C)C)))))))))/C |
| Heavy Atom Count | 21.0 |
| Classyfire Class | Benzopyrans |
| Scaffold Graph Node Level | C1CCC2OCCCC2C1 |
| Classyfire Subclass | 1-benzopyrans |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 450.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (7-methoxy-2,2-dimethylchromen-6-yl) (Z)-2-methylbut-2-enoate |
| Veber Rule | True |
| Classyfire Superclass | Organoheterocyclic compounds |
| Xlogp | 3.8 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C17H20O4 |
| Scaffold Graph Node Bond Level | C1=Cc2ccccc2OC1 |
| Inchi Key | PVFJOSVRFUYPME-WDZFZDKYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 4.0 |
| Synonyms | 6-angeloyloxy-7-methoxy-2,2-dimethylchromene |
| Esol Class | Soluble |
| Functional Groups | cC=CC, cOC, cOC(=O)/C(C)=CC |
| Compound Name | 6-Angeloyloxy-7-methoxy-2,2-dimethylchromene |
| Exact Mass | 288.136 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 288.136 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 288.34 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C17H20O4/c1-6-11(2)16(18)20-15-9-12-7-8-17(3,4)21-13(12)10-14(15)19-5/h6-10H,1-5H3/b11-6- |
| Smiles | C/C=C(/C)\C(=O)OC1=C(C=C2C(=C1)C=CC(O2)(C)C)OC |
| Np Classifier Biosynthetic Pathway | Terpenoids |
| Defined Bond Stereocenter Count | 1.0 |
| Egan Rule | True |
| Np Classifier Superclass | Meroterpenoids |
- 1. Outgoing r'ship
FOUND_INto/from Ageratum Conyzoides (Plant) Rel Props:Reference:ISBN:9788172361792