Sucutinirane D
PubChem CID: 44139494
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| Compound Synonyms | Sucutinirane D, (4aS,11bS)-4,4,7,11b-tetramethyl-1,2,3,4a-tetrahydronaphtho(2,1-f)(1)benzofuran, (4aS,11bS)-4,4,7,11b-tetramethyl-1,2,3,4a-tetrahydronaphtho[2,1-f][1]benzofuran, CHEMBL560025, 40776-77-0 |
|---|---|
| Topological Polar Surface Area | 13.1 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 21.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 451.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Iupac Name | (4aS,11bS)-4,4,7,11b-tetramethyl-1,2,3,4a-tetrahydronaphtho[2,1-f][1]benzofuran |
| Nih Violation | False |
| Prediction Hob | 1.0 |
| Xlogp | 6.5 |
| Is Pains | False |
| Molecular Formula | C20H24O |
| Prediction Swissadme | 0.0 |
| Inchi Key | OLPVLGPCVTYBMB-AZUAARDMSA-N |
| Fcsp3 | 0.5 |
| Rotatable Bond Count | 0.0 |
| Compound Name | Sucutinirane D |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 280.183 |
| Formal Charge | 0.0 |
| Brenk Violation | False |
| Monoisotopic Mass | 280.183 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 280.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -5.984391057142856 |
| Inchi | InChI=1S/C20H24O/c1-13-14-6-7-18-19(2,3)9-5-10-20(18,4)16(14)12-17-15(13)8-11-21-17/h6-8,11-12,18H,5,9-10H2,1-4H3/t18-,20+/m0/s1 |
| Smiles | CC1=C2C=C[C@@H]3[C@@](C2=CC4=C1C=CO4)(CCCC3(C)C)C |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Bowdichia Nitida (Plant) Rel Props:Source_db:cmaup_ingredients