cis-Muurol-5-en-4-alpha-ol
PubChem CID: 6430793
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| Compound Synonyms | cis-Muurol-5-en-4- .alpha.-ol, cis-Muuro-5(E)-4-.alpha.-ol, IHEUASSNMSDWFX-BDMBVICOSA-N |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 20.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCC2CCCCC2C1 |
| Np Classifier Class | Cadinane sesquiterpenoids, Guaiane sesquiterpenoids |
| Deep Smiles | CC[C@H]CC[C@H]CC6=C[C@@]C)O)CC6))))))C)))))C |
| Heavy Atom Count | 16.0 |
| Classyfire Class | Prenol lipids |
| Scaffold Graph Node Level | C1CCC2CCCCC2C1 |
| Classyfire Subclass | Sesquiterpenoids |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 292.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 3.0 |
| Iupac Name | (2S,5R,8R)-2,5-dimethyl-8-propan-2-yl-4,4a,5,6,7,8-hexahydro-3H-naphthalen-2-ol |
| Veber Rule | True |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 3.5 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C15H26O |
| Scaffold Graph Node Bond Level | C1=C2CCCCC2CCC1 |
| Inchi Key | IHEUASSNMSDWFX-BDMBVICOSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 1.0 |
| Synonyms | cis-muurol-5-en-4a-ol, cis-muurol-5en-4-α-ol, cis-muurolol-5-en-4-α-ol |
| Esol Class | Soluble |
| Functional Groups | CC(C)=CC, CO |
| Compound Name | cis-Muurol-5-en-4-alpha-ol |
| Exact Mass | 222.198 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 222.198 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 222.37 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 4.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C15H26O/c1-10(2)12-6-5-11(3)13-7-8-15(4,16)9-14(12)13/h9-13,16H,5-8H2,1-4H3/t11-,12-,13?,15+/m1/s1 |
| Smiles | C[C@@H]1CC[C@@H](C2=C[C@@](CCC12)(C)O)C(C)C |
| 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 Pinus Sylvestris (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2000.9712159 - 2. Outgoing r'ship
FOUND_INto/from Tetradenia Riparia (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2014.892841