Loganetin

PubChem CID: 10466307

Connections displayed (default: 10).

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Compound Synonyms	loganetin, 29748-10-5, methyl (1R,4aS,6S,7R,7aS)-1,6-dihydroxy-7-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate, CHEMBL5174883, Cyclopenta[c]pyran-4-carboxylic acid, 1,4a,5,6,7,7a-hexahydro-1,6-dihydroxy-7-methyl-, methyl ester, (1R,4aS,6S,7R,7aS)-, Methyl (1R,4as,6S,7R,7ar)-1,6-dihydroxy-7-methyl-1H,4ah,5H,6H,7H,7ah-cyclopenta(c)pyran-4-carboxylic acid, Methyl (1R,4as,6S,7R,7ar)-1,6-dihydroxy-7-methyl-1H,4ah,5H,6H,7H,7ah-cyclopenta[c]pyran-4-carboxylic acid, methyl (1R,4aS,6S,7R,7aS)-1,6-dihydroxy-7-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta(c)pyran-4-carboxylate, SCHEMBL10042272, CHEBI:195298, HY-N3373, BDBM50595028, AKOS037515404, AC-34498, DA-54991, MS-23292, XL170486, Loganetin - Menyanthes trifoliata (bogbean), CS-0024031, C22676, METHYL (1R,4AS,6S,7R,7AS)-1,6-DIHYDROXY-7-METHYL-1H,4AH,5H,6H,7H,7AH-CYCLOPENTA[C]PYRAN-4-CARBOXYLATE
Ghose Rule	True
Classyfire Kingdom	Organic compounds
Topological Polar Surface Area	76.0
Hydrogen Bond Donor Count	2.0
Pfizer 3 75 Rule	True
Scaffold Graph Level	C1CCC2CCCC2C1
Np Classifier Class	Iridoids monoterpenoids
Deep Smiles	COC=O)C=CO[C@H][C@H][C@@H]6C[C@@H][C@@H]5C))O)))))O
Heavy Atom Count	16.0
Classyfire Class	Prenol lipids
Scaffold Graph Node Level	C1CC2CCOCC2C1
Classyfire Subclass	Monoterpenoids
Isotope Atom Count	0.0
Molecular Complexity	324.0
Database Name	cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem
Defined Atom Stereocenter Count	5.0
Iupac Name	methyl (1R,4aS,6S,7R,7aS)-1,6-dihydroxy-7-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate
Prediction Hob	1.0
Veber Rule	True
Classyfire Superclass	Lipids and lipid-like molecules
Xlogp	0.2
Gsk 4 400 Rule	True
Molecular Formula	C11H16O5
Scaffold Graph Node Bond Level	C1=CC2CCCC2CO1
Prediction Swissadme	1.0
Inchi Key	XWOHZIIPBYAMJX-KHBMLBSESA-N
Silicos It Class	Soluble
Fcsp3	0.7272727272727273
Rotatable Bond Count	2.0
Synonyms	loganetin
Esol Class	Very soluble
Functional Groups	CO, COC(=O)C1=CO[C@@H](O)CC1
Compound Name	Loganetin
Prediction Hob Swissadme	1.0
Exact Mass	228.1
Formal Charge	0.0
Monoisotopic Mass	228.1
Hydrogen Bond Acceptor Count	5.0
Molecular Weight	228.24
Gi Absorption	True
Covalent Unit Count	1.0
Total Atom Stereocenter Count	5.0
Total Bond Stereocenter Count	0.0
Lipinski Rule Of 5	True
Esol	-1.2554127999999998
Inchi	InChI=1S/C11H16O5/c1-5-8(12)3-6-7(10(13)15-2)4-16-11(14)9(5)6/h4-6,8-9,11-12,14H,3H2,1-2H3/t5-,6+,8-,9+,11+/m0/s1
Smiles	C[C@H]1[C@H](C[C@H]2[C@@H]1[C@@H](OC=C2C(=O)OC)O)O
Np Classifier Biosynthetic Pathway	Terpenoids
Defined Bond Stereocenter Count	0.0
Egan Rule	True
Np Classifier Superclass	Monoterpenoids

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80. Outgoing r'ship FOUND_IN to/from Kadsura Japonica (Plant) Rel Props:Reference:
81. Outgoing r'ship FOUND_IN to/from Karwinskia Parvifolia (Plant) Rel Props:Reference:
82. Outgoing r'ship FOUND_IN to/from Kerria Japonica (Plant) Rel Props:Reference:
83. Outgoing r'ship FOUND_IN to/from Korthalsella Japonica (Plant) Rel Props:Reference:
84. Outgoing r'ship FOUND_IN to/from Krameria Parvifolia (Plant) Rel Props:Reference:
85. Outgoing r'ship FOUND_IN to/from Lawsonia Alba (Plant) Rel Props:Source_db:npass_chem_all
86. Outgoing r'ship FOUND_IN to/from Lawsonia Inermis (Plant) Rel Props:Reference:
87. Outgoing r'ship FOUND_IN to/from Lawsonia Spinosa (Plant) Rel Props:Reference:
88. Outgoing r'ship FOUND_IN to/from Lippia Alba (Plant) Rel Props:Reference:
89. Outgoing r'ship FOUND_IN to/from Lonicera Japonica (Plant) Rel Props:Reference:
90. Outgoing r'ship FOUND_IN to/from Machilus Japonica (Plant) Rel Props:Reference:
91. Outgoing r'ship FOUND_IN to/from Maesa Japonica (Plant) Rel Props:Reference:
92. Outgoing r'ship FOUND_IN to/from Melilotus Alba (Plant) Rel Props:Reference:
93. Outgoing r'ship FOUND_IN to/from Mentha Japonica (Plant) Rel Props:Reference:
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207. Outgoing r'ship FOUND_IN to/from Strychnos Ledermannii (Plant) Rel Props:Reference:
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209. Outgoing r'ship FOUND_IN to/from Strychnos Malaccensis (Plant) Rel Props:Reference:
210. Outgoing r'ship FOUND_IN to/from Strychnos Minor (Plant) Rel Props:Reference:
211. Outgoing r'ship FOUND_IN to/from Strychnos Nitida (Plant) Rel Props:Reference:
212. Outgoing r'ship FOUND_IN to/from Strychnos Panamensis (Plant) Rel Props:Reference:
213. Outgoing r'ship FOUND_IN to/from Strychnos Potatorum (Plant) Rel Props:Reference:
214. Outgoing r'ship FOUND_IN to/from Strychnos Spinosa (Plant) Rel Props:Reference:
215. Outgoing r'ship FOUND_IN to/from Strychnos Splendens (Plant) Rel Props:Reference:
216. Outgoing r'ship FOUND_IN to/from Strychnos Staudtii (Plant) Rel Props:Reference:
217. Outgoing r'ship FOUND_IN to/from Strychnos Tabascana (Plant) Rel Props:Reference:
218. Outgoing r'ship FOUND_IN to/from Strychnos Tomentosa (Plant) Rel Props:Reference:
219. Outgoing r'ship FOUND_IN to/from Strychnos Tricalysioides (Plant) Rel Props:Reference:
220. Outgoing r'ship FOUND_IN to/from Strychnos Triplinervia (Plant) Rel Props:Reference:
221. Outgoing r'ship FOUND_IN to/from Strychnos Usambarensis (Plant) Rel Props:Reference:
222. Outgoing r'ship FOUND_IN to/from Strychnos Vanprukii (Plant) Rel Props:Reference:
223. Outgoing r'ship FOUND_IN to/from Strychnos Wallichiana (Plant) Rel Props:Reference:
224. Outgoing r'ship FOUND_IN to/from Swertia Japonica (Plant) Rel Props:Reference:
225. Outgoing r'ship FOUND_IN to/from Tamilnadia Uliginosa (Plant) Rel Props:Reference:
226. Outgoing r'ship FOUND_IN to/from Ternstroemia Japonica (Plant) Rel Props:Reference:
227. Outgoing r'ship FOUND_IN to/from Tilia Japonica (Plant) Rel Props:Reference:
228. Outgoing r'ship FOUND_IN to/from Torilis Japonica (Plant) Rel Props:Reference:
229. Outgoing r'ship FOUND_IN to/from Trapa Japonica (Plant) Rel Props:Reference:
230. Outgoing r'ship FOUND_IN to/from Turraea Parvifolia (Plant) Rel Props:Reference:
231. Outgoing r'ship FOUND_IN to/from Ulmus Parvifolia (Plant) Rel Props:Reference:
232. Outgoing r'ship FOUND_IN to/from Vernonanthura Discolor (Plant) Rel Props:Reference:
233. Outgoing r'ship FOUND_IN to/from Xeromphis Uliginosa (Plant) Rel Props:Reference:
234. Outgoing r'ship FOUND_IN to/from Xylopia Parvifolia (Plant) Rel Props:Reference:
235. Outgoing r'ship FOUND_IN to/from Youngia Japonica (Plant) Rel Props:Reference:

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Phytochemical Properties

Associated Connections 235

Plant Connections 235