1,2,9,10-Tetradehydroaristolane
PubChem CID: 5321842
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| Compound Synonyms | 1,2,9,10-Tetradehydroaristolane, 1,1,7,7a-tetramethyl-2,6,7,7b-tetrahydro-1aH-cyclopropa[a]naphthalene, 1H-Cyclopropa[a]naphthalene, 1a,2,6,7,7a,7b-hexahydro-1,1,7,7a-tetramethyl-, (1aR,7R,7aR,7bS)-, 1H-Cyclopropa[a]naphthalene, 1a,2,6,7,7a,7b-hexahydro-1,1,7,7a-tetramethyl-, [1aR-(1a.alpha.,7.alpha.,7a.alpha.,7b.alpha.)]-, 1,1,7,7a-tetramethyl-2,6,7,7b-tetrahydro-1aH-cyclopropa(a)naphthalene, 1H-Cyclopropa(a)naphthalene, 1a,2,6,7,7a,7b-hexahydro-1,1,7,7a-tetramethyl-, (1aR,7R,7aR,7bS)-, 1H-Cyclopropa(a)naphthalene, 1a,2,6,7,7a,7b-hexahydro-1,1,7,7a-tetramethyl-, (1aR-(1aalpha,7alpha,7aalpha,7balpha))- |
|---|---|
| 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 | 0.0 |
| Iupac Name | 1,1,7,7a-tetramethyl-2,6,7,7b-tetrahydro-1aH-cyclopropa[a]naphthalene |
| Prediction Hob | 1.0 |
| Xlogp | 4.4 |
| Molecular Formula | C15H22 |
| Prediction Swissadme | 0.0 |
| Inchi Key | AOKPBPDKGDLBCJ-UHFFFAOYSA-N |
| Fcsp3 | 0.7333333333333333 |
| Logs | -5.161 |
| Rotatable Bond Count | 0.0 |
| Logd | 4.233 |
| Compound Name | 1,2,9,10-Tetradehydroaristolane |
| 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 | -3.8413142000000002 |
| Inchi | InChI=1S/C15H22/c1-10-6-5-7-11-8-9-12-13(14(12,2)3)15(10,11)4/h5,7-8,10,12-13H,6,9H2,1-4H3 |
| Smiles | CC1CC=CC2=CCC3C(C12C)C3(C)C |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Artemisia Argyi (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Nardostachys Jatamansi (Plant) Rel Props:Source_db:cmaup_ingredients