Hookerianamide K
PubChem CID: 25016412
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| Compound Synonyms | HOOKERIANAMIDE K, CHEMBL496488, CHEBI:66023, (20S)-20-(N-dimethylamino)-3beta-(N-dimethylamino)-pregn-4,14-diene, (3beta,20S)-N(3),N(3),N(20),N(20)-tetramethylpregna-4,14-diene-3,20-diamine, DTXSID601170494, BDBM50272490, 1041464-45-2, Q27134526, (3I(2),20S)-N3,N3,N20,N20-Tetramethylpregna-4,14-diene-3,20-diamine, (3S,8R,9S,10R,13R,17S)-17-[(1S)-1-(dimethylamino)ethyl]-N,N,10,13-tetramethyl-2,3,6,7,8,9,11,12,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-amine |
|---|---|
| Topological Polar Surface Area | 6.5 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 27.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 645.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 7.0 |
| Uniprot Id | P22303, P06276 |
| Iupac Name | (3S,8R,9S,10R,13R,17S)-17-[(1S)-1-(dimethylamino)ethyl]-N,N,10,13-tetramethyl-2,3,6,7,8,9,11,12,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-amine |
| Prediction Hob | 1.0 |
| Target Id | NPT204, NPT439 |
| Xlogp | 5.1 |
| Molecular Formula | C25H42N2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | JLDLXPZTQHZTBT-JYNQZMPESA-N |
| Fcsp3 | 0.84 |
| Logs | -4.702 |
| Rotatable Bond Count | 3.0 |
| Logd | 3.22 |
| Compound Name | Hookerianamide K |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 370.335 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 370.335 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 370.6 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 7.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -5.159175 |
| Inchi | InChI=1S/C25H42N2/c1-17(26(4)5)21-10-11-22-20-9-8-18-16-19(27(6)7)12-14-24(18,2)23(20)13-15-25(21,22)3/h11,16-17,19-21,23H,8-10,12-15H2,1-7H3/t17-,19-,20-,21+,23-,24-,25+/m0/s1 |
| Smiles | C[C@@H]([C@H]1CC=C2[C@@]1(CC[C@H]3[C@H]2CCC4=C[C@H](CC[C@]34C)N(C)C)C)N(C)C |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Alpinia Galanga (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Ampelopsis Japonica (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Cassia Leptophylla (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Cneorum Pulverulentum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 5. Outgoing r'ship
FOUND_INto/from Sarcococca Hookeriana (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all