Terminamine G
PubChem CID: 60201370
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| Compound Synonyms | terminamine G, N-((3R,5S,8R,9S,10S,13S,14S,17S)-17-acetyl-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta(a)phenanthren-3-yl)-N-methylbenzamide, N-[(3R,5S,8R,9S,10S,13S,14S,17S)-17-acetyl-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]-N-methylbenzamide, CHEMBL2087205, 1389397-36-7 |
|---|---|
| Topological Polar Surface Area | 37.4 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 32.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 741.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 8.0 |
| Iupac Name | N-[(3R,5S,8R,9S,10S,13S,14S,17S)-17-acetyl-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]-N-methylbenzamide |
| Nih Violation | False |
| Prediction Hob | 0.0 |
| Xlogp | 6.7 |
| Is Pains | False |
| Molecular Formula | C29H41NO2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | IAVDKJWBPMWUDM-WCKWMXOKSA-N |
| Fcsp3 | 0.7241379310344828 |
| Rotatable Bond Count | 3.0 |
| Compound Name | Terminamine G |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 435.314 |
| Formal Charge | 0.0 |
| Brenk Violation | False |
| Monoisotopic Mass | 435.314 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 435.6 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 8.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -6.636792400000001 |
| Inchi | InChI=1S/C29H41NO2/c1-19(31)24-12-13-25-23-11-10-21-18-22(30(4)27(32)20-8-6-5-7-9-20)14-16-28(21,2)26(23)15-17-29(24,25)3/h5-9,21-26H,10-18H2,1-4H3/t21-,22+,23-,24+,25-,26-,28-,29+/m0/s1 |
| Smiles | CC(=O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(CC[C@H](C4)N(C)C(=O)C5=CC=CC=C5)C)C |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Pachysandra Terminalis (Plant) Rel Props:Source_db:cmaup_ingredients