1H-3a,7-Methanoazulene-6-methanol, 2,3,4,7,8,8a-hexahydro-3,8,8-trimethyl-, [3R-(3alpha,3abeta,7beta,8aalpha)]-

PubChem CID: 584507

Connections displayed (default: 10).

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Compound Synonyms	FUZABTYGEVJEPT-UHFFFAOYSA-N, 1H-3a,7-Methanoazulene-6-methanol, 2,3,4,7,8,8a-hexahydro-3,8,8-trimethyl-, [3R-(3.alpha.,3a.beta.,7.beta.,8a.alpha.)]-, NS00049779
Ghose Rule	True
Classyfire Kingdom	Organic compounds
Topological Polar Surface Area	20.2
Hydrogen Bond Donor Count	1.0
Pfizer 3 75 Rule	False
Scaffold Graph Level	C1CC2CC3CCCC3(C1)C2
Np Classifier Class	Cedrane and Isocedrane sesquiterpenoids
Deep Smiles	OCC=CCCCC6CC)C)C5CCC8C
Heavy Atom Count	16.0
Classyfire Class	Prenol lipids
Scaffold Graph Node Level	C1CC2CC3CCCC3(C1)C2
Classyfire Subclass	Sesquiterpenoids
Isotope Atom Count	0.0
Molecular Complexity	341.0
Database Name	cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem
Defined Atom Stereocenter Count	0.0
Iupac Name	(2,6,6-trimethyl-8-tricyclo[5.3.1.01,5]undec-8-enyl)methanol
Prediction Hob	0.0
Veber Rule	True
Classyfire Superclass	Lipids and lipid-like molecules
Xlogp	3.4
Gsk 4 400 Rule	True
Molecular Formula	C15H24O
Scaffold Graph Node Bond Level	C1=CC2CC3CCCC3(C1)C2
Prediction Swissadme	1.0
Inchi Key	FUZABTYGEVJEPT-UHFFFAOYSA-N
Silicos It Class	Soluble
Fcsp3	0.8666666666666667
Logs	-4.08
Rotatable Bond Count	1.0
Logd	3.754
Synonyms	cedr-8-en-15-ol
Esol Class	Soluble
Functional Groups	CC=C(C)C, CO
Compound Name	1H-3a,7-Methanoazulene-6-methanol, 2,3,4,7,8,8a-hexahydro-3,8,8-trimethyl-, [3R-(3alpha,3abeta,7beta,8aalpha)]-
Prediction Hob Swissadme	0.0
Exact Mass	220.183
Formal Charge	0.0
Monoisotopic Mass	220.183
Hydrogen Bond Acceptor Count	1.0
Molecular Weight	220.35
Gi Absorption	True
Covalent Unit Count	1.0
Total Atom Stereocenter Count	4.0
Total Bond Stereocenter Count	0.0
Lipinski Rule Of 5	True
Esol	-3.2633072
Inchi	InChI=1S/C15H24O/c1-10-4-5-13-14(2,3)12-8-15(10,13)7-6-11(12)9-16/h6,10,12-13,16H,4-5,7-9H2,1-3H3
Smiles	CC1CCC2C13CC=C(C(C3)C2(C)C)CO
Nring	3.0
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 Abutilon Indicum (Plant) Rel Props:Reference:
2. Outgoing r'ship FOUND_IN to/from Arthrocnemum Indicum (Plant) Rel Props:Reference:
3. Outgoing r'ship FOUND_IN to/from Bryodesma Indicum (Plant) Rel Props:Reference:
4. Outgoing r'ship FOUND_IN to/from Canarium Indicum (Plant) Rel Props:Reference:
5. Outgoing r'ship FOUND_IN to/from Cerastium Indicum (Plant) Rel Props:Reference:
6. Outgoing r'ship FOUND_IN to/from Chrysanthellum Indicum (Plant) Rel Props:Reference:
7. Outgoing r'ship FOUND_IN to/from Chrysanthemum Boreale (Plant) Rel Props:Reference:
8. Outgoing r'ship FOUND_IN to/from Chrysanthemum Coronarium (Plant) Rel Props:Reference:
9. Outgoing r'ship FOUND_IN to/from Chrysanthemum Griffithii (Plant) Rel Props:Reference:
10. Outgoing r'ship FOUND_IN to/from Chrysanthemum Indicum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
11. Outgoing r'ship FOUND_IN to/from Chrysanthemum Lavandulifolium (Plant) Rel Props:Reference:
12. Outgoing r'ship FOUND_IN to/from Chrysanthemum Leptophyllum (Plant) Rel Props:Reference:
13. Outgoing r'ship FOUND_IN to/from Chrysanthemum Morifolium (Plant) Rel Props:Source_db:npass_chem_all
14. Outgoing r'ship FOUND_IN to/from Chrysanthemum Myconis (Plant) Rel Props:Reference:
15. Outgoing r'ship FOUND_IN to/from Chrysanthemum Pyrethroides (Plant) Rel Props:Reference:
16. Outgoing r'ship FOUND_IN to/from Chrysanthemum Sinense (Plant) Rel Props:Reference:
17. Outgoing r'ship FOUND_IN to/from Chrysanthemum Tibeticum (Plant) Rel Props:Reference:
18. Outgoing r'ship FOUND_IN to/from Chrysanthemum Uliginosum (Plant) Rel Props:Reference:
19. Outgoing r'ship FOUND_IN to/from Chrysanthemum X (Plant) Rel Props:Reference:
20. Outgoing r'ship FOUND_IN to/from Chrysanthemum Zawadskii (Plant) Rel Props:Reference:
21. Outgoing r'ship FOUND_IN to/from Claoxylon Indicum (Plant) Rel Props:Reference:
22. Outgoing r'ship FOUND_IN to/from Clerodendron Indicum (Plant) Rel Props:Reference:
23. Outgoing r'ship FOUND_IN to/from Clerodendrum Indicum (Plant) Rel Props:Reference:
24. Outgoing r'ship FOUND_IN to/from Combretum Indicum (Plant) Rel Props:Reference:
25. Outgoing r'ship FOUND_IN to/from Distemon Indicum (Plant) Rel Props:Reference:
26. Outgoing r'ship FOUND_IN to/from Gnaphalium Indicum (Plant) Rel Props:Reference:
27. Outgoing r'ship FOUND_IN to/from Gossypium Indicum (Plant) Rel Props:Reference:
28. Outgoing r'ship FOUND_IN to/from Heliophylum Indicum (Plant) Rel Props:Reference:
29. Outgoing r'ship FOUND_IN to/from Heliotropium Indicum (Plant) Rel Props:Reference:
30. Outgoing r'ship FOUND_IN to/from Jasminum Chrysanthemum (Plant) Rel Props:Reference:
31. Outgoing r'ship FOUND_IN to/from Jatropha Curcas (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2014.886965
32. Outgoing r'ship FOUND_IN to/from Limeum Indicum (Plant) Rel Props:Reference:
33. Outgoing r'ship FOUND_IN to/from Limnanthemum Indicum (Plant) Rel Props:Reference:
34. Outgoing r'ship FOUND_IN to/from Melanthium Indicum (Plant) Rel Props:Reference:
35. Outgoing r'ship FOUND_IN to/from Melilotus Indicum (Plant) Rel Props:Reference:
36. Outgoing r'ship FOUND_IN to/from Nasturtium Indicum (Plant) Rel Props:Reference:
37. Outgoing r'ship FOUND_IN to/from Nerium Indicum (Plant) Rel Props:Reference:
38. Outgoing r'ship FOUND_IN to/from Nymphoides Indicum (Plant) Rel Props:Reference:
39. Outgoing r'ship FOUND_IN to/from Oroxylum Indicum (Plant) Rel Props:Reference:
40. Outgoing r'ship FOUND_IN to/from Pentanema Indicum (Plant) Rel Props:Reference:
41. Outgoing r'ship FOUND_IN to/from Phyllocephalum Indicum (Plant) Rel Props:Reference:
42. Outgoing r'ship FOUND_IN to/from Poeciloneuron Indicum (Plant) Rel Props:Reference:
43. Outgoing r'ship FOUND_IN to/from Sandoricum Indicum (Plant) Rel Props:Reference:
44. Outgoing r'ship FOUND_IN to/from Sapium Indicum (Plant) Rel Props:Reference:
45. Outgoing r'ship FOUND_IN to/from Sesamum Indicum (Plant) Rel Props:Reference:
46. Outgoing r'ship FOUND_IN to/from Seseli Indicum (Plant) Rel Props:Reference:
47. Outgoing r'ship FOUND_IN to/from Solanum Indicum (Plant) Rel Props:Reference:
48. Outgoing r'ship FOUND_IN to/from Tiaridium Indicum (Plant) Rel Props:Reference:
49. Outgoing r'ship FOUND_IN to/from Trichodesma Indicum (Plant) Rel Props:Reference:
50. Outgoing r'ship FOUND_IN to/from Tricodesma Indicum (Plant) Rel Props:Reference:
51. Outgoing r'ship FOUND_IN to/from Xanthium Indicum (Plant) Rel Props:Reference:
52. Outgoing r'ship FOUND_IN to/from Zanthoxylum Limonella (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2012.692907

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1H-3a,7-Methanoazulene-6-methanol, 2,3,4,7,8,8a-hexahydro-3,8,8-trimethyl-, [3R-(3alpha,3abeta,7beta,8aalpha)]-

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Phytochemical Properties

Associated Connections 52

Plant Connections 52