4-Hydroxy-3,5a,9-trimethyl-3a,5,5a,9b-tetrahydronaphtho[1,2-b]furan-2,8(3H,4H)-dione

PubChem CID: 621620

Connections displayed (default: 10).

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Compound Synonyms	Artemisin, CHEMBL1673435, 8-Hydroxysantonin, DTXSID00871671, LUHMMHZLDLBAKX-UHFFFAOYSA-N, BDBM50417938, 4-Hydroxy-3,5a,9-trimethyl-3a,5,5a,9b-tetrahydronaphtho[1,2-b]furan-2,8(3H,4H)-dione, 4-Hydroxy-3,5a,9-trimethyl-3a,5,5a,9b-tetrahydronaphtho[1,2-b]furan-2,8(3H,4H)-dione #, Eudesma-1,4-dien-12-oic acid, 6.alpha.,8.alpha.-dihydroxy-3-oxo-, 12,6-lactone, (11S)-, Naphtho[1,2-b]furan-2,8(3H,4H)-dione, 3a,5,5a,9b-tetrahydro-4-hydroxy-3,5a,9-trimethyl-, [3S-(3.alpha.,3a.alpha.,4.alpha.,5a.beta.,9b.beta.)]-
Topological Polar Surface Area	63.6
Hydrogen Bond Donor Count	1.0
Heavy Atom Count	19.0
Isotope Atom Count	0.0
Molecular Complexity	530.0
Database Name	cmaup_ingredients;hmdb_chem_all;npass_chem_all;pubchem
Defined Atom Stereocenter Count	0.0
Uniprot Id	Q12809
Iupac Name	4-hydroxy-3,5a,9-trimethyl-3a,4,5,9b-tetrahydro-3H-benzo[g][1]benzofuran-2,8-dione
Prediction Hob	1.0
Class	Prenol lipids
Target Id	NPT98
Xlogp	1.1
Superclass	Lipids and lipid-like molecules
Subclass	Terpene lactones
Molecular Formula	C15H18O4
Prediction Swissadme	0.0
Inchi Key	LUHMMHZLDLBAKX-UHFFFAOYSA-N
Fcsp3	0.6
Logs	-2.241
Rotatable Bond Count	0.0
Logd	1.266
Compound Name	4-Hydroxy-3,5a,9-trimethyl-3a,5,5a,9b-tetrahydronaphtho[1,2-b]furan-2,8(3H,4H)-dione
Kingdom	Organic compounds
Prediction Hob Swissadme	0.0
Exact Mass	262.121
Formal Charge	0.0
Monoisotopic Mass	262.121
Hydrogen Bond Acceptor Count	4.0
Molecular Weight	262.3
Covalent Unit Count	1.0
Total Atom Stereocenter Count	5.0
Total Bond Stereocenter Count	0.0
Molecular Framework	Aliphatic heteropolycyclic compounds
Esol	-2.1844909999999995
Inchi	InChI=1S/C15H18O4/c1-7-9(16)4-5-15(3)6-10(17)11-8(2)14(18)19-13(11)12(7)15/h4-5,8,10-11,13,17H,6H2,1-3H3
Smiles	CC1C2C(CC3(C=CC(=O)C(=C3C2OC1=O)C)C)O
Nring	3.0
Defined Bond Stereocenter Count	0.0
Taxonomy Direct Parent	Eudesmanolides, secoeudesmanolides, and derivatives

1. Outgoing r'ship FOUND_IN to/from Ambrosia Maritima (Plant) Rel Props:Reference:
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53. Outgoing r'ship FOUND_IN to/from Artemisia Maritima (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
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76. Outgoing r'ship FOUND_IN to/from Artemisia Rubripes (Plant) Rel Props:Reference:
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80. Outgoing r'ship FOUND_IN to/from Artemisia Schimperi (Plant) Rel Props:Reference:
81. Outgoing r'ship FOUND_IN to/from Artemisia Schmidtiana (Plant) Rel Props:Reference:
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90. Outgoing r'ship FOUND_IN to/from Artemisia Tridentata (Plant) Rel Props:Reference:
91. Outgoing r'ship FOUND_IN to/from Artemisia Umbelliformis (Plant) Rel Props:Reference:
92. Outgoing r'ship FOUND_IN to/from Artemisia Urghiana (Plant) Rel Props:Reference:
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100. Outgoing r'ship FOUND_IN to/from Diospyros Maritima (Plant) Rel Props:Reference:
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106. Outgoing r'ship FOUND_IN to/from Seriphidium Brevifolium (Plant) Rel Props:Reference:
107. Outgoing r'ship FOUND_IN to/from Seriphidium Cinum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
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110. Outgoing r'ship FOUND_IN to/from Suaeda Maritima (Plant) Rel Props:Reference:
111. Outgoing r'ship FOUND_IN to/from Triglochin Maritima (Plant) Rel Props:Reference:

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4-Hydroxy-3,5a,9-trimethyl-3a,5,5a,9b-tetrahydronaphtho[1,2-b]furan-2,8(3H,4H)-dione

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Phytochemical Properties

Associated Connections 111

Plant Connections 111