Euglobal IIb
PubChem CID: 10385496
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| Compound Synonyms | Euglobal IIb, 77794-61-7, 5,7-dihydroxy-4-(2-methylpropyl)-4'-(propan-2-yl)-3,4-dihydrospiro[1-benzopyran-2,1'-cyclohexan]-2'-ene-6,8-dicarbaldehyde, 5,7-dihydroxy-4-(2-methylpropyl)-4'-(propan-2-yl)-3,4-dihydrospiro(1-benzopyran-2,1'-cyclohexan)-2'-ene-6,8-dicarbaldehyde, SCHEMBL95706, CHEBI:175085, DTXSID701317914, 5,7-dihydroxy-4-(2-methylpropyl)-6'-propan-2-ylspiro[3,4-dihydrochromene-2,3'-cyclohexene]-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 | C1CCC2(CC1)CCC1CCCCC1C2 |
| Np Classifier Class | Phloroglucinol-terpene hybrids |
| Deep Smiles | O=CccOCCCCC=C6))CC)C)))))CCc6ccc%10O))C=O)))O)))CCC)C |
| Heavy Atom Count | 28.0 |
| Classyfire Class | Benzopyrans |
| Scaffold Graph Node Level | C1CCC2(CC1)CCC1CCCCC1O2 |
| Classyfire Subclass | 1-benzopyrans |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 600.0 |
| Database Name | hmdb_chem_all;imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5,7-dihydroxy-4-(2-methylpropyl)-6'-propan-2-ylspiro[3,4-dihydrochromene-2,3'-cyclohexene]-6,8-dicarbaldehyde |
| Class | Benzopyrans |
| Veber Rule | True |
| Classyfire Superclass | Organoheterocyclic compounds |
| Xlogp | 5.7 |
| Superclass | Organoheterocyclic compounds |
| Subclass | 1-benzopyrans |
| Gsk 4 400 Rule | False |
| Molecular Formula | C23H30O5 |
| Scaffold Graph Node Bond Level | C1=CC2(CCC1)CCc1ccccc1O2 |
| Inchi Key | IGHWKBGONDMTMG-UHFFFAOYSA-N |
| Silicos It Class | Moderately soluble |
| Rotatable Bond Count | 5.0 |
| Synonyms | euglobal iib |
| Esol Class | Moderately soluble |
| Functional Groups | CC=CC, cC=O, cO, cOC |
| Compound Name | Euglobal IIb |
| 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 | 3.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C23H30O5/c1-13(2)9-16-10-23(7-5-15(6-8-23)14(3)4)28-22-18(12-25)20(26)17(11-24)21(27)19(16)22/h5,7,11-16,26-27H,6,8-10H2,1-4H3 |
| Smiles | CC(C)CC1CC2(CCC(C=C2)C(C)C)OC3=C(C(=C(C(=C13)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