24-Methylenecycloartan-3-one
PubChem CID: 634880
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | 24-Methylenecycloartanone, 24-Methylenecycloartan-3-one, 1449-08-7, 7,7,12,16-tetramethyl-15-(6-methyl-5-methylideneheptan-2-yl)pentacyclo[9.7.0.01,3.03,8.012,16]octadecan-6-one, AEAWOMODYBIREN-UHFFFAOYSA-N, BAA44908, 1-(4-Isopropyl-1-methyl-4-pentenyl)-3a,6,6,12a-tetramethyltetradecahydro-7H-cyclopenta[a]cyclopropa[e]phenanthren-7-one # |
|---|---|
| Topological Polar Surface Area | 17.1 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 32.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 820.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 7,7,12,16-tetramethyl-15-(6-methyl-5-methylideneheptan-2-yl)pentacyclo[9.7.0.01,3.03,8.012,16]octadecan-6-one |
| Prediction Hob | 1.0 |
| Xlogp | 10.0 |
| Molecular Formula | C31H50O |
| Prediction Swissadme | 0.0 |
| Inchi Key | AEAWOMODYBIREN-UHFFFAOYSA-N |
| Fcsp3 | 0.9032258064516128 |
| Logs | -6.668 |
| Rotatable Bond Count | 5.0 |
| Logd | 5.821 |
| Compound Name | 24-Methylenecycloartan-3-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 438.386 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 438.386 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 438.7 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 8.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -8.523888000000001 |
| Inchi | InChI=1S/C31H50O/c1-20(2)21(3)9-10-22(4)23-13-15-29(8)25-12-11-24-27(5,6)26(32)14-16-30(24)19-31(25,30)18-17-28(23,29)7/h20,22-25H,3,9-19H2,1-2,4-8H3 |
| Smiles | CC(C)C(=C)CCC(C)C1CCC2(C1(CCC34C2CCC5C3(C4)CCC(=O)C5(C)C)C)C |
| Nring | 5.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Melia Azadirachta (Plant) Rel Props:Reference: - 2. Outgoing r'ship
FOUND_INto/from Melia Azedarach (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Melia Composita (Plant) Rel Props:Reference: - 4. Outgoing r'ship
FOUND_INto/from Melia Dubia (Plant) Rel Props:Reference: - 5. Outgoing r'ship
FOUND_INto/from Melia Indica (Plant) Rel Props:Reference: