Parvifuran
PubChem CID: 5314863
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | Parvifuran, 69470-93-5, 5-Hydroxy-6-methoxy-3-methyl-2-phenylbenzofuran, 6-Methoxy-3-methyl-2-phenylbenzofuran-5-ol, ghl.PD_Mitscher_leg0.1055, starbld0010209, 6-methoxy-3-methyl-2-phenyl-1-benzofuran-5-ol, UCA47093, LMPK12160051, AKOS040762165, CS-0149629 |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 42.6 |
| Hydrogen Bond Donor Count | 1.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCC(C2CC3CCCCC3C2)CC1 |
| Np Classifier Class | 2-arylbenzofurans |
| Deep Smiles | COcccoccc5cc9O))))C))cccccc6 |
| Heavy Atom Count | 19.0 |
| Classyfire Class | 2-arylbenzofuran flavonoids |
| Scaffold Graph Node Level | C1CCC(C2CC3CCCCC3O2)CC1 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 300.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 6-methoxy-3-methyl-2-phenyl-1-benzofuran-5-ol |
| Veber Rule | True |
| Classyfire Superclass | Phenylpropanoids and polyketides |
| Xlogp | 4.0 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C16H14O3 |
| Scaffold Graph Node Bond Level | c1ccc(-c2cc3ccccc3o2)cc1 |
| Inchi Key | RICORHDCMSYMOL-UHFFFAOYSA-N |
| Silicos It Class | Moderately soluble |
| Rotatable Bond Count | 2.0 |
| Synonyms | parvifuran |
| Esol Class | Moderately soluble |
| Functional Groups | cO, cOC, coc |
| Compound Name | Parvifuran |
| Exact Mass | 254.094 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 254.094 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 254.28 |
| 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/C16H14O3/c1-10-12-8-13(17)15(18-2)9-14(12)19-16(10)11-6-4-3-5-7-11/h3-9,17H,1-2H3 |
| Smiles | CC1=C(OC2=CC(=C(C=C12)O)OC)C3=CC=CC=C3 |
| Np Classifier Biosynthetic Pathway | Shikimates and Phenylpropanoids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Isoflavonoids |
- 1. Outgoing r'ship
FOUND_INto/from Dalbergia Parviflora (Plant) Rel Props:Reference:ISBN:9788185042114