Rulepidadiene A
PubChem CID: 15625232
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| Compound Synonyms | Rulepidadiene A, aristola-1(10)-8 diene, CHEBI:221383, UDSKJUQXHRQDLY-MUYACECFSA-N, (1aS,7S,7aS,7bR)-1,1,7,7a-tetramethyl-5,6,7,7b-tetrahydro-1aH-cyclopropa[a]naphthalene |
|---|---|
| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 15.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 358.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 4.0 |
| Iupac Name | (1aS,7S,7aS,7bR)-1,1,7,7a-tetramethyl-5,6,7,7b-tetrahydro-1aH-cyclopropa[a]naphthalene |
| Prediction Hob | 0.0 |
| Xlogp | 4.4 |
| Molecular Formula | C15H22 |
| Prediction Swissadme | 0.0 |
| Inchi Key | UDSKJUQXHRQDLY-MUYACECFSA-N |
| Fcsp3 | 0.7333333333333333 |
| Logs | -4.641 |
| Rotatable Bond Count | 0.0 |
| Logd | 4.281 |
| Compound Name | Rulepidadiene A |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 202.172 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 202.172 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 202.33 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 4.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.8917141999999996 |
| Inchi | InChI=1S/C15H22/c1-10-6-5-7-11-8-9-12-13(14(12,2)3)15(10,11)4/h7-10,12-13H,5-6H2,1-4H3/t10-,12-,13+,15+/m0/s1 |
| Smiles | C[C@H]1CCC=C2[C@@]1([C@@H]3[C@@H](C3(C)C)C=C2)C |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Nardostachys Jatamansi (Plant) Rel Props:Source_db:cmaup_ingredients