Euglobal Ia1
PubChem CID: 3530567
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| Compound Synonyms | Euglobal Ia1, euglobal IA2, 77794-63-9, 77844-93-0, 1,3-dihydroxy-10a-methyl-9-(2-methylpropyl)-7-propan-2-yl-7,8,8a,9-tetrahydroxanthene-2,4-dicarbaldehyde, 1H-Xanthene-5,7-dicarboxaldehyde, 2,4a,9,9a-tetrahydro-6,8-dihydroxy-4a-methyl-2-(1-methylethyl)-9-(2-methylpropyl)-, (8aR,9R,10aR)-, CDA79463, CDA84493 |
|---|---|
| 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 | C1CCC2CC3CCCCC3CC2C1 |
| Np Classifier Class | Phloroglucinol-terpene hybrids |
| Deep Smiles | O=CccO)cC=O))ccc6O))CCCC)C)))CCO6)C)C=CCC6)CC)C |
| Heavy Atom Count | 28.0 |
| Classyfire Class | Benzopyrans |
| Description | Constituent of Eucalyptus globulus (Tasmanian blue gum). |
| Scaffold Graph Node Level | C1CCC2OC3CCCCC3CC2C1 |
| Classyfire Subclass | 1-benzopyrans |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 614.0 |
| Database Name | fooddb_chem_all;hmdb_chem_all;imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1,3-dihydroxy-10a-methyl-9-(2-methylpropyl)-7-propan-2-yl-7,8,8a,9-tetrahydroxanthene-2,4-dicarbaldehyde |
| Class | Benzopyrans |
| Veber Rule | True |
| Classyfire Superclass | Organoheterocyclic compounds |
| Xlogp | 5.6 |
| Superclass | Organoheterocyclic compounds |
| Subclass | 1-benzopyrans |
| Gsk 4 400 Rule | False |
| Molecular Formula | C23H30O5 |
| Scaffold Graph Node Bond Level | C1=CC2Oc3ccccc3CC2CC1 |
| Inchi Key | GCAXPYWXIWWHHT-UHFFFAOYSA-N |
| Silicos It Class | Moderately soluble |
| Rotatable Bond Count | 5.0 |
| Synonyms | Euglobal-Ia1, Euglobal-ia1, euglobal ia1 |
| Esol Class | Moderately soluble |
| Functional Groups | CC=CC, cC=O, cO, cOC |
| Compound Name | Euglobal Ia1 |
| 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)8-15-18-9-14(13(3)4)6-7-23(18,5)28-22-17(11-25)20(26)16(10-24)21(27)19(15)22/h6-7,10-15,18,26-27H,8-9H2,1-5H3 |
| Smiles | CC(C)CC1C2CC(C=CC2(OC3=C(C(=C(C(=C13)O)C=O)O)C=O)C)C(C)C |
| Np Classifier Biosynthetic Pathway | Polyketides, Terpenoids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Taxonomy Direct Parent | Xanthenes |
| Np Classifier Superclass | Phloroglucinols |
- 1. Outgoing r'ship
FOUND_INto/from Eucalyptus Globulus (Plant) Rel Props:Reference:ISBN:9788185042114