Euglobal Ib
PubChem CID: 73819907
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| Compound Synonyms | Euglobal Ib, CHEBI:175084, 5,7-dihydroxy-4-(2-methylpropyl)-1'-propan-2-ylspiro[3,4-dihydrochromene-2,4'-bicyclo[3.1.0]hexane]-6,8-dicarbaldehyde |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 83.8 |
| Hydrogen Bond Donor Count | 2.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCC2CC3(CCC2C1)CCC1CC13 |
| Np Classifier Class | Phloroglucinol-terpene hybrids |
| Deep Smiles | O=CccOCCCCC5C3))CC)C)))))CCc6ccc%10O))C=O)))O)))CCC)C |
| Heavy Atom Count | 28.0 |
| Classyfire Class | Benzopyrans |
| Description | Constituent of Eucalyptus globulus (Tasmanian blue gum). |
| Scaffold Graph Node Level | C1CCC2OC3(CCC2C1)CCC1CC13 |
| Classyfire Subclass | 1-benzopyrans |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 632.0 |
| Database Name | fooddb_chem_all;hmdb_chem_all;imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5,7-dihydroxy-4-(2-methylpropyl)-1'-propan-2-ylspiro[3,4-dihydrochromene-2,4'-bicyclo[3.1.0]hexane]-6,8-dicarbaldehyde |
| Class | Benzopyrans |
| Veber Rule | True |
| Classyfire Superclass | Organoheterocyclic compounds |
| Xlogp | 5.5 |
| Superclass | Organoheterocyclic compounds |
| Subclass | 1-benzopyrans |
| Gsk 4 400 Rule | False |
| Molecular Formula | C23H30O5 |
| Scaffold Graph Node Bond Level | c1ccc2c(c1)CCC1(CCC3CC31)O2 |
| Inchi Key | DRQVGVASTZKOLP-UHFFFAOYSA-N |
| Silicos It Class | Moderately soluble |
| Rotatable Bond Count | 5.0 |
| State | Solid |
| Synonyms | Euglobal Ib, Euglobal IIa, euglobal ib |
| Esol Class | Moderately soluble |
| Functional Groups | cC=O, cO, cOC |
| Compound Name | Euglobal Ib |
| Kingdom | Organic compounds |
| Exact Mass | 386.209 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 386.209 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 386.5 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 4.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C23H30O5/c1-12(2)7-14-8-23(6-5-22(13(3)4)9-17(22)23)28-21-16(11-25)19(26)15(10-24)20(27)18(14)21/h10-14,17,26-27H,5-9H2,1-4H3 |
| Smiles | CC(C)CC1CC2(CCC3(C2C3)C(C)C)OC4=C(C(=C(C(=C14)O)C=O)O)C=O |
| Np Classifier Biosynthetic Pathway | Polyketides, Terpenoids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Taxonomy Direct Parent | 1-benzopyrans |
| Np Classifier Superclass | Phloroglucinols |
- 1. Outgoing r'ship
FOUND_INto/from Eucalyptus Globulus (Plant) Rel Props:Reference:ISBN:9788185042114