(1R,2R,5R,8S,11S,12R)-6,12-dimethyl-14-oxapentacyclo[10.3.3.15,8.01,11.02,8]nonadec-6-en-13-one

PubChem CID: 15226632

Connections displayed (default: 10).

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Ghose Rule	True
Classyfire Kingdom	Organic compounds
Topological Polar Surface Area	26.3
Hydrogen Bond Donor Count	0.0
Pfizer 3 75 Rule	False
Scaffold Graph Level	CC1CCC23CCCC1C2CCC12CCC(CCC13)C2
Np Classifier Class	Kaurane and Phyllocladane diterpenoids
Deep Smiles	CC=C[C@]C[C@H]5CC[C@H]6[C@@][C@H]CC%10))[C@@]C)CCC6)))C=O)OC6
Heavy Atom Count	22.0
Classyfire Class	Prenol lipids
Scaffold Graph Node Level	OC1OCC23CCCC1C2CCC12CCC(CCC13)C2
Classyfire Subclass	Terpene lactones
Isotope Atom Count	0.0
Molecular Complexity	578.0
Database Name	imppat_phytochem;npass_chem_all;pubchem
Defined Atom Stereocenter Count	6.0
Iupac Name	(1R,2R,5R,8S,11S,12R)-6,12-dimethyl-14-oxapentacyclo[10.3.3.15,8.01,11.02,8]nonadec-6-en-13-one
Veber Rule	True
Classyfire Superclass	Lipids and lipid-like molecules
Xlogp	4.8
Gsk 4 400 Rule	False
Molecular Formula	C20H28O2
Scaffold Graph Node Bond Level	O=C1OCC23CCCC1C2CCC12C=CC(CCC13)C2
Inchi Key	LZYWCFJWIAXXKP-NGIBWZRKSA-N
Silicos It Class	Moderately soluble
Rotatable Bond Count	0.0
Synonyms	isoodolide
Esol Class	Moderately soluble
Functional Groups	CC(C)=CC, COC(C)=O
Compound Name	(1R,2R,5R,8S,11S,12R)-6,12-dimethyl-14-oxapentacyclo[10.3.3.15,8.01,11.02,8]nonadec-6-en-13-one
Exact Mass	300.209
Formal Charge	0.0
Monoisotopic Mass	300.209
Hydrogen Bond Acceptor Count	2.0
Molecular Weight	300.4
Gi Absorption	True
Covalent Unit Count	1.0
Total Atom Stereocenter Count	6.0
Total Bond Stereocenter Count	0.0
Lipinski Rule Of 5	True
Inchi	InChI=1S/C20H28O2/c1-13-10-19-9-6-15-18(2)7-3-8-20(15,12-22-17(18)21)16(19)5-4-14(13)11-19/h10,14-16H,3-9,11-12H2,1-2H3/t14-,15-,16-,18-,19-,20+/m1/s1
Smiles	CC1=C[C@@]23CC[C@@H]4[C@]5(CCC[C@]4([C@@H]2CC[C@@H]1C3)COC5=O)C
Np Classifier Biosynthetic Pathway	Terpenoids
Defined Bond Stereocenter Count	0.0
Egan Rule	True
Np Classifier Superclass	Diterpenoids

1. Outgoing r'ship FOUND_IN to/from Agastache Mexicana (Plant) Rel Props:Reference:
2. Outgoing r'ship FOUND_IN to/from Argemone Mexicana (Plant) Rel Props:Reference:
3. Outgoing r'ship FOUND_IN to/from Aristolochia Heterophylla (Plant) Rel Props:Reference:
4. Outgoing r'ship FOUND_IN to/from Artemisia Ludoviciana (Plant) Rel Props:Reference:
5. Outgoing r'ship FOUND_IN to/from Artemisia Mexicana (Plant) Rel Props:Reference:
6. Outgoing r'ship FOUND_IN to/from Arthrocnemum Fruticosum (Plant) Rel Props:Reference:
7. Outgoing r'ship FOUND_IN to/from Bupleurum Fruticosum (Plant) Rel Props:Reference:
8. Outgoing r'ship FOUND_IN to/from Cynomorium Songaricum (Plant) Rel Props:Reference:
9. Outgoing r'ship FOUND_IN to/from Dioscorea Alata (Plant) Rel Props:Reference:
10. Outgoing r'ship FOUND_IN to/from Dioscorea Althaeoides (Plant) Rel Props:Reference:
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12. Outgoing r'ship FOUND_IN to/from Dioscorea Bulbifera (Plant) Rel Props:Reference:
13. Outgoing r'ship FOUND_IN to/from Dioscorea Cirrhosa (Plant) Rel Props:Reference:
14. Outgoing r'ship FOUND_IN to/from Dioscorea Collettii (Plant) Rel Props:Reference:
15. Outgoing r'ship FOUND_IN to/from Dioscorea Communis (Plant) Rel Props:Reference:
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18. Outgoing r'ship FOUND_IN to/from Dioscorea Dumetorum (Plant) Rel Props:Reference:
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42. Outgoing r'ship FOUND_IN to/from Dioscorea Tenuipes (Plant) Rel Props:Reference:
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44. Outgoing r'ship FOUND_IN to/from Dioscorea Tomentosa (Plant) Rel Props:Reference:
45. Outgoing r'ship FOUND_IN to/from Dioscorea Villosa (Plant) Rel Props:Reference:
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48. Outgoing r'ship FOUND_IN to/from Dioscorea Zingiberensis (Plant) Rel Props:Reference:
49. Outgoing r'ship FOUND_IN to/from Euphorbia Heterophylla (Plant) Rel Props:Reference:
50. Outgoing r'ship FOUND_IN to/from Ficus Heterophylla (Plant) Rel Props:Reference:
51. Outgoing r'ship FOUND_IN to/from Gentiana Olgae (Plant) Rel Props:Reference:
52. Outgoing r'ship FOUND_IN to/from Girardinia Heterophylla (Plant) Rel Props:Reference:
53. Outgoing r'ship FOUND_IN to/from Gynocardia Odorata (Plant) Rel Props:Reference:ISBN:9770972795006
54. Outgoing r'ship FOUND_IN to/from Heliotropium Olgae (Plant) Rel Props:Reference:
55. Outgoing r'ship FOUND_IN to/from Lamprolobium Fruticosum (Plant) Rel Props:Reference:
56. Outgoing r'ship FOUND_IN to/from Lasia Heterophylla (Plant) Rel Props:Reference:
57. Outgoing r'ship FOUND_IN to/from Limnophila Aromatica (Plant) Rel Props:Reference:
58. Outgoing r'ship FOUND_IN to/from Limnophila Conferta (Plant) Rel Props:Reference:
59. Outgoing r'ship FOUND_IN to/from Limnophila Geoffrayi (Plant) Rel Props:Reference:
60. Outgoing r'ship FOUND_IN to/from Limnophila Heterophylla (Plant) Rel Props:Source_db:npass_chem_all
61. Outgoing r'ship FOUND_IN to/from Limnophila Indica (Plant) Rel Props:Reference:
62. Outgoing r'ship FOUND_IN to/from Limnophila Polystachya (Plant) Rel Props:Reference:
63. Outgoing r'ship FOUND_IN to/from Limnophila Racemosa (Plant) Rel Props:Reference:
64. Outgoing r'ship FOUND_IN to/from Limnophila Repens (Plant) Rel Props:Reference:
65. Outgoing r'ship FOUND_IN to/from Limnophila Roxburghii (Plant) Rel Props:Reference:
66. Outgoing r'ship FOUND_IN to/from Limnophila Rugosa (Plant) Rel Props:Reference:
67. Outgoing r'ship FOUND_IN to/from Limnophila Sessiliflora (Plant) Rel Props:Reference:
68. Outgoing r'ship FOUND_IN to/from Lindelofia Longiflora (Plant) Rel Props:Reference:
69. Outgoing r'ship FOUND_IN to/from Lindelofia Stylosa (Plant) Rel Props:Reference:
70. Outgoing r'ship FOUND_IN to/from Lippia Mexicana (Plant) Rel Props:Reference:
71. Outgoing r'ship FOUND_IN to/from Maytenus Heterophylla (Plant) Rel Props:Reference:
72. Outgoing r'ship FOUND_IN to/from Orthosphenia Mexicana (Plant) Rel Props:Reference:
73. Outgoing r'ship FOUND_IN to/from Osteospermum Fruticosum (Plant) Rel Props:Reference:
74. Outgoing r'ship FOUND_IN to/from Persea Mexicana (Plant) Rel Props:Reference:
75. Outgoing r'ship FOUND_IN to/from Pistacia Mexicana (Plant) Rel Props:Reference:
76. Outgoing r'ship FOUND_IN to/from Populus Heterophylla (Plant) Rel Props:Reference:
77. Outgoing r'ship FOUND_IN to/from Pseudostellaria Heterophylla (Plant) Rel Props:Reference:
78. Outgoing r'ship FOUND_IN to/from Ratibida Mexicana (Plant) Rel Props:Reference:
79. Outgoing r'ship FOUND_IN to/from Rotala Mexicana (Plant) Rel Props:Reference:
80. Outgoing r'ship FOUND_IN to/from Solanum Olgae (Plant) Rel Props:Reference:
81. Outgoing r'ship FOUND_IN to/from Solena Heterophylla (Plant) Rel Props:Reference:
82. Outgoing r'ship FOUND_IN to/from Tabebuia Heterophylla (Plant) Rel Props:Reference:
83. Outgoing r'ship FOUND_IN to/from Talinum Fruticosum (Plant) Rel Props:Source_db:npass_chem_all
84. Outgoing r'ship FOUND_IN to/from Tsuga Heterophylla (Plant) Rel Props:Reference:
85. Outgoing r'ship FOUND_IN to/from Verbascum Chinense (Plant) Rel Props:Reference:
86. Outgoing r'ship FOUND_IN to/from Verbascum Coromandelianum (Plant) Rel Props:Reference:
87. Outgoing r'ship FOUND_IN to/from Verbascum Fruticulosum (Plant) Rel Props:Reference:
88. Outgoing r'ship FOUND_IN to/from Verbascum Georgicum (Plant) Rel Props:Reference:
89. Outgoing r'ship FOUND_IN to/from Verbascum Laxum (Plant) Rel Props:Reference:
90. Outgoing r'ship FOUND_IN to/from Verbascum Lychnites (Plant) Rel Props:Reference:
91. Outgoing r'ship FOUND_IN to/from Verbascum Phlomoides (Plant) Rel Props:Reference:
92. Outgoing r'ship FOUND_IN to/from Verbascum Spinosum (Plant) Rel Props:Reference:
93. Outgoing r'ship FOUND_IN to/from Verbascum Thapsiforme (Plant) Rel Props:Reference:
94. Outgoing r'ship FOUND_IN to/from Verbascum Thapsus (Plant) Rel Props:Reference:
95. Outgoing r'ship FOUND_IN to/from Verbascum Wiedemannianum (Plant) Rel Props:Reference:

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(1R,2R,5R,8S,11S,12R)-6,12-dimethyl-14-oxapentacyclo[10.3.3.15,8.01,11.02,8]nonadec-6-en-13-one

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Phytochemical Properties

Associated Connections 95

Plant Connections 95