Conocurvone
PubChem CID: 135412596
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | Conocurvone, Conocurvon, 149572-31-6, NSC650891, CHEBI:3861, NSC 650891, NSC-650891, [8,8':9',8''-Ter-3H-naphtho[2,1-b]pyran]-7,7',7'',10,10',10''-hexone, 9,9''-dihydroxy-3,3',3''-trimethyl-3,3',3''-tris(4-methyl-3-penten-1-yl)-, (3R,3'R,3''R)-, (8,8':9',8''-Ter-3H-naphtho(2,1-b)pyran)-7,7',7'',10,10',10''-hexone, 9,9''-dihydroxy-3,3',3''-trimethyl-3,3',3''-tris(4-methyl-3-pentenyl)-, (3R,3'R,3''R)-, (+)-Conocurvone, [8,8':9',8''-Ter-3H-naphtho[2,1-b]pyran]-7,7',7'',10,10',10''-hexone, 9,9''-dihydroxy-3,3',3''-trimethyl-3,3',3''-tris(4-methyl-3-pentenyl)-, (3R,3'R,3''R)-, SCX7A45WJ6, CHEMBL509065, DTXSID201100021, Q27106216, (3R)-8,9-bis[(3R)-9-hydroxy-3-methyl-3-(4-methylpent-3-enyl)-7,10-dioxo-benzo[f]chromen-8-yl]-3-methyl-3-(4-methylpent-3-enyl)benzo[f]chromene-7,10-dione, (3R,3'R,3''R)-9,9''-Dihydroxy-3,3',3''-trimethyl-3,3',3''-tris(4-methyl-3-penten-1-yl)[8,8':9',8''-ter-3H-naphtho[2,1-b]pyran]-7,7',7'',10,10',10''-hexone, (3R,3a(2)R,3a(2)a(2)R)-9,9a(2)a(2)-Dihydroxy-3,3a(2),3a(2)a(2)-trimethyl-3,3a(2),3a(2)a(2)-tris(4-methyl-3-penten-1-yl)[8,8a(2):9a(2),8a(2)a(2)-ter-3H-naphtho[2,1-b]pyran]-7,7a(2),7a(2)a(2),10,10a(2),10a(2)a(2)-hexone |
|---|---|
| Topological Polar Surface Area | 171.0 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 71.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 2600.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 3.0 |
| Iupac Name | (3R)-8,9-bis[(3R)-9-hydroxy-3-methyl-3-(4-methylpent-3-enyl)-7,10-dioxobenzo[f]chromen-8-yl]-3-methyl-3-(4-methylpent-3-enyl)benzo[f]chromene-7,10-dione |
| Prediction Hob | 0.0 |
| Xlogp | 12.1 |
| Molecular Formula | C60H56O11 |
| Prediction Swissadme | 0.0 |
| Inchi Key | IJDNMADFCZSLQD-UPMPAGDASA-N |
| Fcsp3 | 0.3 |
| Logs | -6.871 |
| Rotatable Bond Count | 11.0 |
| Logd | 4.407 |
| Compound Name | Conocurvone |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 952.382 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 952.382 |
| Hydrogen Bond Acceptor Count | 11.0 |
| Molecular Weight | 953.1 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 3.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -12.852707033802814 |
| Inchi | InChI=1S/C60H56O11/c1-31(2)13-10-25-58(7)28-22-34-40(69-58)19-16-37-43(34)53(64)47(49-52(63)39-18-21-42-36(45(39)55(66)57(49)68)24-30-60(9,71-42)27-12-15-33(5)6)46(50(37)61)48-51(62)38-17-20-41-35(44(38)54(65)56(48)67)23-29-59(8,70-41)26-11-14-32(3)4/h13-24,28-30,67-68H,10-12,25-27H2,1-9H3/t58-,59-,60-/m1/s1 |
| Smiles | CC(=CCC[C@@]1(C=CC2=C(O1)C=CC3=C2C(=O)C(=C(C3=O)C4=C(C(=O)C5=C(C4=O)C=CC6=C5C=C[C@@](O6)(C)CCC=C(C)C)O)C7=C(C(=O)C8=C(C7=O)C=CC9=C8C=C[C@@](O9)(C)CCC=C(C)C)O)C)C |
| Nring | 9.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Trichosanthes Cucumeroides (Plant) Rel Props:Source_db:cmaup_ingredients