Platyphyllide
PubChem CID: 10932811
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| Compound Synonyms | Platyphyllide, (1R,11R)-11-prop-1-en-2-yl-2-oxatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-3-one, (1R,11R)-11-prop-1-en-2-yl-2-oxatricyclo(6.3.1.04,12)dodeca-4,6,8(12)-trien-3-one |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 26.3 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | CC1CC2CCCC3CCCC1C32 |
| Np Classifier Class | Noreudesmane sesquiterpenoids |
| Deep Smiles | CC=C)[C@H]CCcc[C@@H]6OC=O)c5ccc9 |
| Heavy Atom Count | 16.0 |
| Classyfire Class | Benzofurans |
| Scaffold Graph Node Level | OC1OC2CCCC3CCCC1C32 |
| Classyfire Subclass | Benzofuranones |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 334.0 |
| Database Name | imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Iupac Name | (1R,11R)-11-prop-1-en-2-yl-2-oxatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-3-one |
| Veber Rule | True |
| Classyfire Superclass | Organoheterocyclic compounds |
| Xlogp | 3.3 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C14H14O2 |
| Scaffold Graph Node Bond Level | O=C1OC2CCCc3cccc1c32 |
| Inchi Key | HPRUINVTECPGHJ-ZWNOBZJWSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 1.0 |
| Synonyms | platyphyllide |
| Esol Class | Soluble |
| Functional Groups | C=C(C)C, cC(=O)OC |
| Compound Name | Platyphyllide |
| Exact Mass | 214.099 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 214.099 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 214.26 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C14H14O2/c1-8(2)10-7-6-9-4-3-5-11-12(9)13(10)16-14(11)15/h3-5,10,13H,1,6-7H2,2H3/t10-,13-/m1/s1 |
| Smiles | CC(=C)[C@H]1CCC2=C3[C@@H]1OC(=O)C3=CC=C2 |
| Np Classifier Biosynthetic Pathway | Terpenoids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Sesquiterpenoids |
- 1. Outgoing r'ship
FOUND_INto/from Haldina Cordifolia (Plant) Rel Props:Source_db:npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Senecio Nudicaulis (Plant) Rel Props:Reference:ISBN:9788185042114