Alpha-Conidendrin
PubChem CID: 457194
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | alpha-Conidendrin, Conidendrin, (-)-alpha-Conidendrin, 518-55-8, .alpha.-Conidendrin, Conidendrin, alpha-, NSC 4586, (-)-.alpha.-Conidendrin, 83D6S2EBN0, NSC 642786, UNII-83D6S2EBN0, AI3-17106, CHEBI:70199, NSC-4586, .ALPHA.-CONIDENDRIN, (-)-, NSC-642786, (3aR,9S,9aR)-7-hydroxy-9-(4-hydroxy-3-methoxyphenyl)-6-methoxy-3a,4,9,9a-tetrahydro-1H-benzo[f][2]benzofuran-3-one, Conidendrin,.alpha., (3AR,4S,9AR)-3A,4,9,9A-TETRAHYDRO-6-HYDROXY-4-(4-HYDROXY-3-METHOXYPHENYL)-7-METHOXYNAPHTHO(2,3-C)FURAN-1(3H)-ONE, (3aR,4S,9aR)-3a,4,9,9a-Tetrahydro-6-hydroxy-4-(4-hydroxy-3-methoxyphenyl)-7-methoxynaphtho[2,3-c]furan-1(3H)-one, CONIDENDRIN,ALPHA, NAPHTHO(2,3-C)FURAN-1(3H)-ONE, 3A,4,9,9A-TETRAHYDRO-6-HYDROXY-4-(4-HYDROXY-3-METHOXYPHENYL)-7-METHOXY-, (3AR,4S,9AR)-, Naphtho(2,3-c)furan-1(3H)-one, 3a,4,9,9a-tetrahydro-6-hydroxy-4-(4-hydroxy-3-methoxyphenyl)-7-methoxy-, (3aR-(3aalpha,4alpha,9abeta))- (9CI), (3aR,9R,9aS)-7-hydroxy-9-(4-hydroxy-3-methoxyphenyl)-6-methoxy-3a,4,9,9a-tetrahydro-1H-benzo(f)(2)benzofuran-3-one, (3aR,9R,9aS)-7-hydroxy-9-(4-hydroxy-3-methoxyphenyl)-6-methoxy-3a,4,9,9a-tetrahydro-1H-benzo[f][2]benzofuran-3-one, (3aR,9S,9aR)-7-hydroxy-9-(4-hydroxy-3-methoxyphenyl)-6-methoxy-3a,4,9,9a-tetrahydro-1H-benzo(f)(2)benzofuran-3-one, (-)-a-Conidendrin, CHEMBL463246, ALPHA-CONIDENDRIN, (-)-, DTXSID301025622, DTXSID401106144, Naphtho[2,3-c]furan-1(3H)-one, 3a,4,9,9a-tetrahydro-6-hydroxy-4-(4-hydroxy-3-methoxyphenyl)-7-methoxy-, (3a.alpha.,4.alpha.,9a.beta.)-(-)-, BDBM50378887, AKOS040751244, FA71886, FS-9104, 89104-61-0, (-)-alpha-Conidendrin, >=95.0% (HPLC), A13-17106, Q27138539, (3aR,9S,9aR)-7-hydroxy-9-(4-hydroxy-3-methoxy-phenyl)-6-methoxy-3a,4,9,9a-tetrahydro-1H-benzo[f]isobenzofuran-3-one, Conidendrin, Naphtho[2,3-c]furan-1(3H)-one, 3a,4,9,9a-tetrahydro-6-hydroxy-4-(4-hydroxy-3-methoxyphenyl)-7-methoxy-, (3aR,4S,9aR)-, Conidendrin (6CI), Naphtho[2,3-c]furan-1(3H)-one, 3a,4,9,9a-tetrahydro-6-hydroxy-4-(4-hydroxy-3-methoxyphenyl)-7-methoxy-, [3aR-(3aa,4a,, Naphtho(2,3-c)furan-1(3H)-one, 3a,4,9,9a-tetrahydro-6-hydroxy-4-(4-hydroxy-3-methoxyphenyl)-7-methoxy-, (3aalpha,4alpha,9abeta)-(-)-, Naphtho(2,3-c)furan-1(3H)-one, 3a,4,9,9a-tetrahydro-6-hydroxy-4-(4-hydroxy-3-methoxyphenyl)-7-methoxy-, (3aR-(3aalpha,4alpha,9abeta))-, Naphtho(2,3-c)furan-1(3H)-one, 3aalpha,4,9,9abeta-tetrahydro-6-hydroxy-4alpha-(4-hydroxy-3-methoxyphenyl)-7-methoxy-, Naphtho[2,3-c]furan-1(3H)-one, 3a,4,9,9a-tetrahydro-6-hydroxy-4-(4-hydroxy- 3-methoxyphenyl)-7-methoxy-, (3aR,4S,9aR)-, rel-(3aR,4S,9aR)-3a,4,9,9a-Tetrahydro-6-hydroxy-4-(4-hydroxy-3-methoxyphenyl)-7-methoxynaphtho[2,3-c]furan-1(3H)-one |
|---|---|
| Topological Polar Surface Area | 85.2 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 26.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 524.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 3.0 |
| Iupac Name | (3aR,9S,9aR)-7-hydroxy-9-(4-hydroxy-3-methoxyphenyl)-6-methoxy-3a,4,9,9a-tetrahydro-1H-benzo[f][2]benzofuran-3-one |
| Prediction Hob | 1.0 |
| Target Id | NPT109, NPT110 |
| Xlogp | 2.8 |
| Molecular Formula | C20H20O6 |
| Prediction Swissadme | 1.0 |
| Inchi Key | CAYMSCGTKZIVTN-TYILLQQXSA-N |
| Fcsp3 | 0.35 |
| Logs | -3.896 |
| Rotatable Bond Count | 3.0 |
| Logd | 2.912 |
| Compound Name | Alpha-Conidendrin |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 356.126 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 356.126 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 356.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 3.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.9507572615384623 |
| Inchi | InChI=1S/C20H20O6/c1-24-17-6-10(3-4-15(17)21)19-12-8-16(22)18(25-2)7-11(12)5-13-14(19)9-26-20(13)23/h3-4,6-8,13-14,19,21-22H,5,9H2,1-2H3/t13-,14+,19+/m1/s1 |
| Smiles | COC1=C(C=C2[C@@H]([C@H]3COC(=O)[C@@H]3CC2=C1)C4=CC(=C(C=C4)O)OC)O |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Taxus Wallichiana (Plant) Rel Props:Source_db:cmaup_ingredients