CID 5317424
PubChem CID: 5317424
Connections displayed (default: 10).
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| Compound Synonyms | Isofuranodiene, Furanodiene, 19912-61-9, (5Z,9Z)-3,6,10-trimethyl-4,7,8,11-tetrahydrocyclodeca[b]furan, UNII-7E7DKT38LE, 57566-47-9, 7E7DKT38LE, Cyclodeca(b)furan, 4,7,8,11-tetrahydro-3,6,10-trimethyl-, (E,E)-, UNII-G0AFT38FJ7, (3Z,7Z)-3,7,11-Trimethyl-13-Oxabicyclo[8.3.0]Trideca-3,7,11,14-Tetraene, DA-53440, DA-54420, 1ST170878, 3,6,10-trimethyl-4,7,8,11-tetrahydrocyclodeca-[b]-furan |
|---|---|
| Topological Polar Surface Area | 13.1 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 16.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 301.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (5Z,9Z)-3,6,10-trimethyl-4,7,8,11-tetrahydrocyclodeca[b]furan |
| Prediction Hob | 1.0 |
| Xlogp | 3.7 |
| Molecular Formula | C15H20O |
| Prediction Swissadme | 0.0 |
| Inchi Key | VMDXHYHOJPKFEK-ADUATRDFSA-N |
| Fcsp3 | 0.4666666666666667 |
| Logs | -4.117 |
| Rotatable Bond Count | 0.0 |
| Logd | 3.834 |
| Compound Name | CID 5317424 |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 216.151 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 216.151 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 216.32 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 2.0 |
| Esol | -3.7308588 |
| Inchi | InChI=1S/C15H20O/c1-11-5-4-6-12(2)9-15-14(8-7-11)13(3)10-16-15/h6-7,10H,4-5,8-9H2,1-3H3/b11-7-,12-6- |
| Smiles | C/C/1=C/CC2=C(C/C(=C\CC1)/C)OC=C2C |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 2.0 |
- 1. Outgoing r'ship
FOUND_INto/from Chloranthus Serratus (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Chloranthus Spicatus (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Codonopsis Pilosula (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Curcuma Zedoaria (Plant) Rel Props:Source_db:cmaup_ingredients