2,4-dimethoxy-6-[(Z)-pentadec-10-enyl]phenol
PubChem CID: 5321906
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| Ghose Rule | False |
|---|---|
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 38.7 |
| Hydrogen Bond Donor Count | 1.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCCCC1 |
| Np Classifier Class | Catechols with side chains |
| Deep Smiles | CCCC/C=CCCCCCCCCCcccOC))ccc6O))OC |
| Heavy Atom Count | 26.0 |
| Classyfire Class | Phenols |
| Scaffold Graph Node Level | C1CCCCC1 |
| Classyfire Subclass | Methoxyphenols |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 342.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2,4-dimethoxy-6-[(Z)-pentadec-10-enyl]phenol |
| Veber Rule | False |
| Classyfire Superclass | Benzenoids |
| Xlogp | 8.4 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C23H38O3 |
| Scaffold Graph Node Bond Level | c1ccccc1 |
| Inchi Key | GBCXPDPXQWPCTG-FPLPWBNLSA-N |
| Silicos It Class | Poorly soluble |
| Rotatable Bond Count | 15.0 |
| Synonyms | 2,4-dimethoxy-6-[(z)-10'-pentadecenyl] phenol (belamcandol a), belamcandol a |
| Esol Class | Poorly soluble |
| Functional Groups | C/C=CC, cO, cOC |
| Compound Name | 2,4-dimethoxy-6-[(Z)-pentadec-10-enyl]phenol |
| Exact Mass | 362.282 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 362.282 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 362.5 |
| Gi Absorption | False |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C23H38O3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-18-21(25-2)19-22(26-3)23(20)24/h7-8,18-19,24H,4-6,9-17H2,1-3H3/b8-7- |
| Smiles | CCCC/C=C\CCCCCCCCCC1=C(C(=CC(=C1)OC)OC)O |
| Np Classifier Biosynthetic Pathway | Polyketides |
| Defined Bond Stereocenter Count | 1.0 |
| Egan Rule | False |
| Np Classifier Superclass | Aromatic polyketides |
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FOUND_INto/from Iris Domestica (Plant) Rel Props:Reference:ISBN:9788172362140