Bisabola-1,3,5,7(14),10-pentaene
PubChem CID: 5316440
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| Compound Synonyms | YAZBKDRDYPAXAO-UHFFFAOYSA-N, Bisabola-1,3,5,7(14),10-pentaene |
|---|---|
| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 15.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 222.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1-methyl-4-(6-methylhepta-1,5-dien-2-yl)benzene |
| Nih Violation | False |
| Prediction Hob | 1.0 |
| Xlogp | 5.5 |
| Is Pains | False |
| Molecular Formula | C15H20 |
| Prediction Swissadme | 0.0 |
| Inchi Key | YAZBKDRDYPAXAO-UHFFFAOYSA-N |
| Fcsp3 | 0.3333333333333333 |
| Rotatable Bond Count | 4.0 |
| Compound Name | Bisabola-1,3,5,7(14),10-pentaene |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 200.157 |
| Formal Charge | 0.0 |
| Brenk Violation | True |
| Monoisotopic Mass | 200.157 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 200.32 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.604215 |
| Inchi | InChI=1S/C15H20/c1-12(2)6-5-7-14(4)15-10-8-13(3)9-11-15/h6,8-11H,4-5,7H2,1-3H3 |
| Smiles | CC1=CC=C(C=C1)C(=C)CCC=C(C)C |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Dolomiaea Souliei (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Saussurea Costus (Plant) Rel Props:Source_db:cmaup_ingredients