Prangosine
PubChem CID: 177596
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| Compound Synonyms | Prangosine, 15399-67-4, DTXSID20165504, 7H-Furo(3,2-g)(1)benzopyran-7-one, 2-(1-amino-1-methylethyl)-, DTXCID0087995, 2-(1-amino-1-methyl-ethyl)-furo[3,2-g]chromen-7-one |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 65.5 |
| Hydrogen Bond Donor Count | 1.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | CC1CCC2CC3CCCC3CC2C1 |
| Np Classifier Class | Furocoumarins, Simple coumarins |
| Deep Smiles | O=ccccco6)cccc6)cco5)CN)C)C |
| Heavy Atom Count | 18.0 |
| Classyfire Class | Coumarins and derivatives |
| Scaffold Graph Node Level | OC1CCC2CC3CCOC3CC2O1 |
| Classyfire Subclass | Furanocoumarins |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 391.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-(2-aminopropan-2-yl)furo[3,2-g]chromen-7-one |
| Veber Rule | True |
| Classyfire Superclass | Phenylpropanoids and polyketides |
| Xlogp | 1.8 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C14H13NO3 |
| Scaffold Graph Node Bond Level | O=c1ccc2cc3ccoc3cc2o1 |
| Inchi Key | IFPBIHSHJPJPCA-UHFFFAOYSA-N |
| Silicos It Class | Moderately soluble |
| Rotatable Bond Count | 1.0 |
| Synonyms | prangosine |
| Esol Class | Soluble |
| Functional Groups | CN, c=O, coc |
| Compound Name | Prangosine |
| Exact Mass | 243.09 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 243.09 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 243.26 |
| 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/C14H13NO3/c1-14(2,15)12-6-9-5-8-3-4-13(16)18-10(8)7-11(9)17-12/h3-7H,15H2,1-2H3 |
| Smiles | CC(C)(C1=CC2=C(O1)C=C3C(=C2)C=CC(=O)O3)N |
| Np Classifier Biosynthetic Pathway | Shikimates and Phenylpropanoids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Coumarins |
- 1. Outgoing r'ship
FOUND_INto/from Prangos Pabularia (Plant) Rel Props:Reference:ISBN:9788185042053