Myrcen-8-yl acetate

PubChem CID: 5319724

Connections displayed (default: 10).

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Compound Synonyms	Myrcen-8-yl acetate, SCHEMBL24151464, YGUUXLXMTKARJN-DHZHZOJOSA-N
Ghose Rule	True
Classyfire Kingdom	Organic compounds
Topological Polar Surface Area	26.3
Hydrogen Bond Donor Count	0.0
Pfizer 3 75 Rule	False
Deep Smiles	C=CC=C)CC/C=C/COC=O)C))))C
Heavy Atom Count	14.0
Classyfire Class	Fatty acyls
Classyfire Subclass	Fatty alcohol esters
Isotope Atom Count	0.0
Molecular Complexity	249.0
Database Name	cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem
Defined Atom Stereocenter Count	0.0
Iupac Name	[(2E)-2-methyl-6-methylideneocta-2,7-dienyl] acetate
Prediction Hob	1.0
Veber Rule	True
Classyfire Superclass	Lipids and lipid-like molecules
Xlogp	3.7
Gsk 4 400 Rule	True
Molecular Formula	C12H18O2
Prediction Swissadme	1.0
Inchi Key	YGUUXLXMTKARJN-DHZHZOJOSA-N
Silicos It Class	Soluble
Fcsp3	0.4166666666666667
Logs	-2.621
Rotatable Bond Count	7.0
Logd	2.46
Synonyms	myrcen-8-yl acetate
Esol Class	Soluble
Functional Groups	C/C=C(/C)C, C=CC(=C)C, COC(C)=O
Compound Name	Myrcen-8-yl acetate
Prediction Hob Swissadme	1.0
Exact Mass	194.131
Formal Charge	0.0
Monoisotopic Mass	194.131
Hydrogen Bond Acceptor Count	2.0
Molecular Weight	194.27
Gi Absorption	True
Covalent Unit Count	1.0
Total Atom Stereocenter Count	0.0
Total Bond Stereocenter Count	1.0
Lipinski Rule Of 5	True
Esol	-2.8819987999999994
Inchi	InChI=1S/C12H18O2/c1-5-10(2)7-6-8-11(3)9-14-12(4)13/h5,8H,1-2,6-7,9H2,3-4H3/b11-8+
Smiles	C/C(=C\CCC(=C)C=C)/COC(=O)C
Nring	0.0
Np Classifier Biosynthetic Pathway	Terpenoids
Defined Bond Stereocenter Count	1.0
Egan Rule	True

1. Outgoing r'ship FOUND_IN to/from Aloe Vulgaris (Plant) Rel Props:Reference:
2. Outgoing r'ship FOUND_IN to/from Amelanchier Vulgaris (Plant) Rel Props:Reference:
3. Outgoing r'ship FOUND_IN to/from Aquilegia Vulgaris (Plant) Rel Props:Reference:
4. Outgoing r'ship FOUND_IN to/from Artemisia Vulgaris (Plant) Rel Props:Reference:
5. Outgoing r'ship FOUND_IN to/from Bambusa Vulgaris (Plant) Rel Props:Reference:
6. Outgoing r'ship FOUND_IN to/from Barbarea Vulgaris (Plant) Rel Props:Reference:
7. Outgoing r'ship FOUND_IN to/from Berberis Vulgaris (Plant) Rel Props:Reference:
8. Outgoing r'ship FOUND_IN to/from Beta Vulgaris (Plant) Rel Props:Reference:
9. Outgoing r'ship FOUND_IN to/from Citrullus Lanatus (Plant) Rel Props:Reference:
10. Outgoing r'ship FOUND_IN to/from Citrullus Vulgaris (Plant) Rel Props:Reference:
11. Outgoing r'ship FOUND_IN to/from Euphrasia Vulgaris (Plant) Rel Props:Reference:
12. Outgoing r'ship FOUND_IN to/from Falcaria Vulgaris (Plant) Rel Props:Reference:
13. Outgoing r'ship FOUND_IN to/from Gendarussa Vulgaris (Plant) Rel Props:Reference:
14. Outgoing r'ship FOUND_IN to/from Hippuris Vulgaris (Plant) Rel Props:Reference:
15. Outgoing r'ship FOUND_IN to/from Jacobaea Vulgaris (Plant) Rel Props:Reference:
16. Outgoing r'ship FOUND_IN to/from Lagenaria Vulgaris (Plant) Rel Props:Reference:
17. Outgoing r'ship FOUND_IN to/from Linaria Vulgaris (Plant) Rel Props:Reference:
18. Outgoing r'ship FOUND_IN to/from Odontites Vulgaris (Plant) Rel Props:Reference:
19. Outgoing r'ship FOUND_IN to/from Opuntia Vulgaris (Plant) Rel Props:Reference:
20. Outgoing r'ship FOUND_IN to/from Phaseolus Vulgaris (Plant) Rel Props:Reference:
21. Outgoing r'ship FOUND_IN to/from Picea Vulgaris (Plant) Rel Props:Reference:
22. Outgoing r'ship FOUND_IN to/from Pinguicula Vulgaris (Plant) Rel Props:Reference:
23. Outgoing r'ship FOUND_IN to/from Polygala Vulgaris (Plant) Rel Props:Reference:
24. Outgoing r'ship FOUND_IN to/from Prunella Vulgaris (Plant) Rel Props:Reference:
25. Outgoing r'ship FOUND_IN to/from Quamoclit Vulgaris (Plant) Rel Props:Reference:
26. Outgoing r'ship FOUND_IN to/from Rhus Vulgaris (Plant) Rel Props:Reference:
27. Outgoing r'ship FOUND_IN to/from Satureja Vulgaris (Plant) Rel Props:Reference:
28. Outgoing r'ship FOUND_IN to/from Senecio Vulgaris (Plant) Rel Props:Reference:
29. Outgoing r'ship FOUND_IN to/from Silene Vulgaris (Plant) Rel Props:Reference:
30. Outgoing r'ship FOUND_IN to/from Syringa Vulgaris (Plant) Rel Props:Reference:
31. Outgoing r'ship FOUND_IN to/from Thymus Fedtschenkoi (Plant) Rel Props:Reference:
32. Outgoing r'ship FOUND_IN to/from Thymus Kotschyanus (Plant) Rel Props:Reference:
33. Outgoing r'ship FOUND_IN to/from Thymus Linearis (Plant) Rel Props:Reference:
34. Outgoing r'ship FOUND_IN to/from Thymus Magnus (Plant) Rel Props:Reference:
35. Outgoing r'ship FOUND_IN to/from Thymus Migricus (Plant) Rel Props:Reference:
36. Outgoing r'ship FOUND_IN to/from Thymus Piperella (Plant) Rel Props:Reference:
37. Outgoing r'ship FOUND_IN to/from Thymus Praecox (Plant) Rel Props:Reference:
38. Outgoing r'ship FOUND_IN to/from Thymus Pulegioides (Plant) Rel Props:Reference:
39. Outgoing r'ship FOUND_IN to/from Thymus Quinquecostatus (Plant) Rel Props:Reference:
40. Outgoing r'ship FOUND_IN to/from Thymus Serpyllum (Plant) Rel Props:Reference:
41. Outgoing r'ship FOUND_IN to/from Thymus Transcaucasicus (Plant) Rel Props:Reference:
42. Outgoing r'ship FOUND_IN to/from Thymus Vulgaris (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
43. Outgoing r'ship FOUND_IN to/from Tilia Vulgaris (Plant) Rel Props:Reference:
44. Outgoing r'ship FOUND_IN to/from Utricularia Vulgaris (Plant) Rel Props:Reference:
45. Outgoing r'ship FOUND_IN to/from Zizyphus Vulgaris (Plant) Rel Props:Reference:

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Myrcen-8-yl acetate

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Phytochemical Properties

Associated Connections 45

Plant Connections 45