Ylangene
PubChem CID: 20055075
Connections displayed (default: 10).
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| Compound Synonyms | Ylangene, 14912-44-8, d-Ylangene, UNII-05V1KJO52Z, (+)-Ylangene, 05V1KJO52Z, YLANGENE, ALPHA-, YLANGENE, (+)-, .alpha.-ylangene, DTXSID401018185, (1S,2R,6R,7R,8S)-1,3-dimethyl-8-propan-2-yltricyclo[4.4.0.02,7]dec-3-ene, [1S,2R,6R,7R,8S,(+)]-1,3-Dimethyl-8-(1-methylethyl)tricyclo[4.4.0.02,7]deca-3-ene, TRICYCLO(4.4.0.02,7)DEC-3-ENE, 1,3-DIMETHYL-8-(1-METHYLETHYL)-, (1S,2R,6R,7R,8S)-, (+)-.alpha.-Ylangene, Tricyclo(4.4.0.0(2,7))dec-3-ene, 1,3-dimethyl-8-(1-methylethyl)-, stereoisomer, YLANGENE [MI], (+)-alpha-YLANGENE, alpha-YLANGENE, (+)-, DTXCID101476425, .ALPHA.-YLANGENE, (+)-, TRICYCLO(4.4.0.02,7)DEC-3-ENE, 8-ISOPROPYL-1,3-DIMETHYL-, (1S,2R,6R,7R,8S)-(+)- |
|---|---|
| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 15.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 312.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 5.0 |
| Iupac Name | (1S,2R,6R,7R,8S)-1,3-dimethyl-8-propan-2-yltricyclo[4.4.0.02,7]dec-3-ene |
| Prediction Hob | 0.0 |
| Xlogp | 4.5 |
| Molecular Formula | C15H24 |
| Prediction Swissadme | 0.0 |
| Inchi Key | VLXDPFLIRFYIME-QRTUWBSPSA-N |
| Fcsp3 | 0.8666666666666667 |
| Logs | -5.284 |
| Rotatable Bond Count | 1.0 |
| Logd | 4.796 |
| Compound Name | Ylangene |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 204.188 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 204.188 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 204.35 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 5.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.8571134000000002 |
| Inchi | InChI=1S/C15H24/c1-9(2)11-7-8-15(4)12-6-5-10(3)14(15)13(11)12/h5,9,11-14H,6-8H2,1-4H3/t11-,12+,13+,14-,15-/m0/s1 |
| Smiles | CC1=CC[C@@H]2[C@@H]3[C@H]1[C@]2(CC[C@H]3C(C)C)C |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Angelica Pubescens (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Artemisia Annua (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Bidens Andicola (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Bunium Paucifolium (Plant) Rel Props:Source_db:cmaup_ingredients - 5. Outgoing r'ship
FOUND_INto/from Bupleurum Scorzonerifolium (Plant) Rel Props:Source_db:cmaup_ingredients - 6. Outgoing r'ship
FOUND_INto/from Humulus Japonicus (Plant) Rel Props:Source_db:cmaup_ingredients - 7. Outgoing r'ship
FOUND_INto/from Juniperus Oxycedrus (Plant) Rel Props:Source_db:cmaup_ingredients - 8. Outgoing r'ship
FOUND_INto/from Ligularia Hodgsonii (Plant) Rel Props:Source_db:cmaup_ingredients - 9. Outgoing r'ship
FOUND_INto/from Panax Notoginseng (Plant) Rel Props:Source_db:cmaup_ingredients - 10. Outgoing r'ship
FOUND_INto/from Zingiber Officinale (Plant) Rel Props:Source_db:cmaup_ingredients