(-)-Androbiphenyline
PubChem CID: 10927179
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| Compound Synonyms | (-)-androbiphenyline, N-((7S)-8-hydroxy-1,2,3,9-tetramethoxy-6,7-dihydro-5H-dibenzo(5,3-b:2',4'-e)(7)annulen-7-yl)acetamide, N-((8S)-6-hydroxy-5,13,14,15-tetramethoxy-8-tricyclo(9.4.0.02,7)pentadeca-1(15),2(7),3,5,11,13-hexaenyl)acetamide, N-[(7S)-8-hydroxy-1,2,3,9-tetramethoxy-6,7-dihydro-5H-dibenzo[5,3-b:2',4'-e][7]annulen-7-yl]acetamide, N-[(8S)-6-hydroxy-5,13,14,15-tetramethoxy-8-tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaenyl]acetamide, CHEMBL498122, SCHEMBL17304632 |
|---|---|
| Topological Polar Surface Area | 86.3 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 28.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 531.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | N-[(8S)-6-hydroxy-5,13,14,15-tetramethoxy-8-tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaenyl]acetamide |
| Prediction Hob | 1.0 |
| Xlogp | 2.6 |
| Molecular Formula | C21H25NO6 |
| Prediction Swissadme | 1.0 |
| Inchi Key | DMFNBXZGZQLZMS-AWEZNQCLSA-N |
| Fcsp3 | 0.3809523809523809 |
| Logs | -3.082 |
| Rotatable Bond Count | 5.0 |
| Logd | 1.919 |
| Compound Name | (-)-Androbiphenyline |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 387.168 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 387.168 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 387.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.813821257142858 |
| Inchi | InChI=1S/C21H25NO6/c1-11(23)22-14-8-6-12-10-16(26-3)20(27-4)21(28-5)17(12)13-7-9-15(25-2)19(24)18(13)14/h7,9-10,14,24H,6,8H2,1-5H3,(H,22,23)/t14-/m0/s1 |
| Smiles | CC(=O)N[C@H]1CCC2=CC(=C(C(=C2C3=C1C(=C(C=C3)OC)O)OC)OC)OC |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Colchicum Arenarium (Plant) Rel Props:Reference: - 2. Outgoing r'ship
FOUND_INto/from Colchicum Autumnale (Plant) Rel Props:Reference: - 3. Outgoing r'ship
FOUND_INto/from Colchicum Brachyphyllum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Colchicum Filifolium (Plant) Rel Props:Reference: - 5. Outgoing r'ship
FOUND_INto/from Colchicum Luteum (Plant) Rel Props:Reference: - 6. Outgoing r'ship
FOUND_INto/from Colchicum Macedonicum (Plant) Rel Props:Reference: - 7. Outgoing r'ship
FOUND_INto/from Colchicum Robustum (Plant) Rel Props:Reference: - 8. Outgoing r'ship
FOUND_INto/from Colchicum Speciosum (Plant) Rel Props:Reference: