(+)-Guaia-6,9-diene

PubChem CID: 14190790

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Compound Synonyms	(+)-guaia-6,9-diene, Guaia-6,9-diene, CHEBI:49204, (1S,3aR,8aR)-7-isopropyl-1,4-dimethyl-1,2,3,3a,6,8a-hexahydroazulene, (1S,3aR,8aR)-1,4-dimethyl-7-(propan-2-yl)-1,2,3,3a,6,8a-hexahydroazulene, (1S,3aR,8aR)-1,4-dimethyl-7-propan-2-yl-1,2,3,3a,6,8a-hexahydroazulene, LMPR0103410004, Q27121529
Ghose Rule	True
Classyfire Kingdom	Organic compounds
Topological Polar Surface Area	0.0
Hydrogen Bond Donor Count	0.0
Pfizer 3 75 Rule	False
Scaffold Graph Level	C1CCC2CCCC2CC1
Np Classifier Class	Guaiane sesquiterpenoids
Deep Smiles	CCC=C[C@H][C@@H]C)CC[C@H]5C=CC%10))C)))))))))C
Heavy Atom Count	15.0
Classyfire Class	Prenol lipids
Scaffold Graph Node Level	C1CCC2CCCC2CC1
Classyfire Subclass	Sesquiterpenoids
Isotope Atom Count	0.0
Molecular Complexity	293.0
Database Name	cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem
Defined Atom Stereocenter Count	3.0
Iupac Name	(1S,3aR,8aR)-1,4-dimethyl-7-propan-2-yl-1,2,3,3a,6,8a-hexahydroazulene
Prediction Hob	0.0
Veber Rule	True
Classyfire Superclass	Lipids and lipid-like molecules
Xlogp	4.3
Gsk 4 400 Rule	False
Molecular Formula	C15H24
Scaffold Graph Node Bond Level	C1=CC2CCCC2C=CC1
Prediction Swissadme	0.0
Inchi Key	RCMUGHFHXFHKNW-QEJZJMRPSA-N
Silicos It Class	Soluble
Fcsp3	0.7333333333333333
Logs	-3.66
Rotatable Bond Count	1.0
Logd	3.325
Synonyms	guaia-6,9-diene, guaia-6,g-diene, guaiα-6,9-diene
Esol Class	Soluble
Functional Groups	CC(C)=CC, CC=C(C)C
Compound Name	(+)-Guaia-6,9-diene
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
Gi Absorption	False
Covalent Unit Count	1.0
Total Atom Stereocenter Count	3.0
Total Bond Stereocenter Count	0.0
Lipinski Rule Of 5	True
Esol	-3.7437134
Inchi	InChI=1S/C15H24/c1-10(2)13-7-5-11(3)14-8-6-12(4)15(14)9-13/h5,9-10,12,14-15H,6-8H2,1-4H3/t12-,14-,15-/m0/s1
Smiles	C[C@H]1CC[C@@H]2[C@H]1C=C(CC=C2C)C(C)C
Nring	3.0
Np Classifier Biosynthetic Pathway	Terpenoids
Defined Bond Stereocenter Count	0.0
Egan Rule	True
Np Classifier Superclass	Sesquiterpenoids

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3. Outgoing r'ship FOUND_IN to/from Anacardium Occidentale (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2008.9699407
4. Outgoing r'ship FOUND_IN to/from Chrysopogon Zizanioides (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2006.9699129
5. Outgoing r'ship FOUND_IN to/from Curcuma Amada (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2005.9698974
6. Outgoing r'ship FOUND_IN to/from Erodium Cicutarium (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1993.9698228
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15. Outgoing r'ship FOUND_IN to/from Hypericum Calycinum (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2005.9699026
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39. Outgoing r'ship FOUND_IN to/from Hypericum Olympicum (Plant) Rel Props:Reference:
40. Outgoing r'ship FOUND_IN to/from Hypericum Papuanum (Plant) Rel Props:Reference:
41. Outgoing r'ship FOUND_IN to/from Hypericum Patulum (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2005.9699026
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:
44. Outgoing r'ship FOUND_IN to/from Hypericum Prolificum (Plant) Rel Props:Reference:
45. Outgoing r'ship FOUND_IN to/from Hypericum Reflexum (Plant) Rel Props:Reference:
46. Outgoing r'ship FOUND_IN to/from Hypericum Reptans (Plant) Rel Props:Reference:
47. Outgoing r'ship FOUND_IN to/from Hypericum Revolutum (Plant) Rel Props:Reference:
48. Outgoing r'ship FOUND_IN to/from Hypericum Sampsonii (Plant) Rel Props:Reference:
49. Outgoing r'ship FOUND_IN to/from Hypericum Scabrum (Plant) Rel Props:Reference:
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 Laurus Nobilis (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2001.9699624
55. Outgoing r'ship FOUND_IN to/from Nardostachys Jatamansi (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
56. Outgoing r'ship FOUND_IN to/from Pelargonium Graveolens (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.3390
57. Outgoing r'ship FOUND_IN to/from Pogostemon Cablin (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2010.9700346
58. Outgoing r'ship FOUND_IN to/from Spondias Mombin (Plant) Rel Props:Reference:https://doi.org/10.1080/0972-060x.2003.10643343
59. Outgoing r'ship FOUND_IN to/from Valeriana Jatamansi (Plant) Rel Props:Reference:

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(+)-Guaia-6,9-diene

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Phytochemical Properties

Associated Connections 59

Plant Connections 59