14-Oxy-alpha-muurolene

PubChem CID: 91746681

Connections displayed (default: 10).

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Compound Synonyms	14-Oxy-.alpha.-muurolene, DNHAZRYDTSOZHV-UHFFFAOYSA-N
Ghose Rule	True
Classyfire Kingdom	Organic compounds
Topological Polar Surface Area	17.1
Hydrogen Bond Donor Count	0.0
Pfizer 3 75 Rule	False
Scaffold Graph Level	C1CCC2CCCCC2C1
Np Classifier Class	Cadinane sesquiterpenoids
Deep Smiles	O=CC=CCCCC6CCC=C6)C))))))CC)C
Heavy Atom Count	16.0
Classyfire Class	Prenol lipids
Scaffold Graph Node Level	C1CCC2CCCCC2C1
Classyfire Subclass	Sesquiterpenoids
Isotope Atom Count	0.0
Molecular Complexity	335.0
Database Name	cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem
Defined Atom Stereocenter Count	0.0
Iupac Name	6-methyl-4-propan-2-yl-3,4,4a,7,8,8a-hexahydronaphthalene-1-carbaldehyde
Prediction Hob	0.0
Veber Rule	True
Classyfire Superclass	Lipids and lipid-like molecules
Xlogp	3.3
Gsk 4 400 Rule	True
Molecular Formula	C15H22O
Scaffold Graph Node Bond Level	C1=CC2CCC=CC2CC1
Prediction Swissadme	0.0
Inchi Key	DNHAZRYDTSOZHV-UHFFFAOYSA-N
Silicos It Class	Soluble
Fcsp3	0.6666666666666666
Logs	-4.311
Rotatable Bond Count	2.0
Logd	3.823
Synonyms	14-oxy-α-muurolene
Esol Class	Soluble
Functional Groups	CC=C(C)C, CC=C(C)C=O
Compound Name	14-Oxy-alpha-muurolene
Prediction Hob Swissadme	0.0
Exact Mass	218.167
Formal Charge	0.0
Monoisotopic Mass	218.167
Hydrogen Bond Acceptor Count	1.0
Molecular Weight	218.33
Gi Absorption	True
Covalent Unit Count	1.0
Total Atom Stereocenter Count	3.0
Total Bond Stereocenter Count	0.0
Lipinski Rule Of 5	True
Esol	-3.1659079999999995
Inchi	InChI=1S/C15H22O/c1-10(2)13-7-5-12(9-16)14-6-4-11(3)8-15(13)14/h5,8-10,13-15H,4,6-7H2,1-3H3
Smiles	CC1=CC2C(CC1)C(=CCC2C(C)C)C=O
Nring	2.0
Np Classifier Biosynthetic Pathway	Terpenoids
Defined Bond Stereocenter Count	0.0
Egan Rule	True
Np Classifier Superclass	Sesquiterpenoids

1. Outgoing r'ship FOUND_IN to/from Achillea Millefolium (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2016.1150216
2. Outgoing r'ship FOUND_IN to/from Arnica Montana (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2016.1150216
3. Outgoing r'ship FOUND_IN to/from Artemisia Absinthium (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2016.1150216
4. Outgoing r'ship FOUND_IN to/from Artemisia Annua (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2016.1150216
5. Outgoing r'ship FOUND_IN to/from Centaurea Calcitrapa (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2009.9700151
6. Outgoing r'ship FOUND_IN to/from Cirsium Japonicum (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.1135
7. Outgoing r'ship FOUND_IN to/from Haplophyllum Perforatum (Plant) Rel Props:Reference:
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41. Outgoing r'ship FOUND_IN to/from Hypericum Patulum (Plant) Rel Props:Reference:
42. Outgoing r'ship FOUND_IN to/from Hypericum Perforatum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
43. Outgoing r'ship FOUND_IN to/from Hypericum Polyanthemum (Plant) Rel Props:Reference:
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50. Outgoing r'ship FOUND_IN to/from Hypericum Sikokumontanum (Plant) Rel Props:Reference:
51. Outgoing r'ship FOUND_IN to/from Hypericum Styphelioides (Plant) Rel Props:Reference:
52. Outgoing r'ship FOUND_IN to/from Hypericum Triquetrifolium (Plant) Rel Props:Reference:
53. Outgoing r'ship FOUND_IN to/from Hypericum Uralum (Plant) Rel Props:Reference:
54. Outgoing r'ship FOUND_IN to/from Lindera Aggregata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
55. Outgoing r'ship FOUND_IN to/from Lindera Benzoin (Plant) Rel Props:Reference:
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58. Outgoing r'ship FOUND_IN to/from Lindera Iana (Plant) Rel Props:Reference:
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60. Outgoing r'ship FOUND_IN to/from Lindera Neesiana (Plant) Rel Props:Reference:
61. Outgoing r'ship FOUND_IN to/from Lindera Obtusiloba (Plant) Rel Props:Reference:
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63. Outgoing r'ship FOUND_IN to/from Lindera Triloba (Plant) Rel Props:Reference:
64. Outgoing r'ship FOUND_IN to/from Lindera Umbellata (Plant) Rel Props:Reference:

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14-Oxy-alpha-muurolene

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Phytochemical Properties

Associated Connections 64

Plant Connections 64