Desoxyartemisinin

PubChem CID: 45038803

Connections displayed (default: 10).

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Compound Synonyms	Desoxyartemisinin, ZQGMLVQZBIKKMP-XRNKLDBLSA-N
Ghose Rule	True
Classyfire Kingdom	Organic compounds
Topological Polar Surface Area	44.8
Hydrogen Bond Donor Count	0.0
Pfizer 3 75 Rule	False
Scaffold Graph Level	CC1CC2CCCC3CCC4CC(C1)C32C4
Np Classifier Class	Arteminisin
Deep Smiles	C[C@@H]CC[C@@H]C[C@H]6CC[C@]O6)O[C@H]7OC=O)[C@@H]%11C))))))C
Heavy Atom Count	19.0
Classyfire Class	Dioxolopyrans
Scaffold Graph Node Level	OC1CC2CCCC3CCC4OC(O1)C32O4
Isotope Atom Count	0.0
Molecular Complexity	436.0
Database Name	cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem
Defined Atom Stereocenter Count	6.0
Iupac Name	(1R,4S,5R,8S,9R,12S)-1,5,9-trimethyl-11,14,15-trioxatetracyclo[10.2.1.04,13.08,13]pentadecan-10-one
Prediction Hob	1.0
Veber Rule	True
Classyfire Superclass	Organoheterocyclic compounds
Xlogp	2.7
Gsk 4 400 Rule	True
Molecular Formula	C15H22O4
Scaffold Graph Node Bond Level	O=C1CC2CCCC3CCC4OC(O1)C32O4
Prediction Swissadme	0.0
Inchi Key	ZQGMLVQZBIKKMP-XRNKLDBLSA-N
Silicos It Class	Soluble
Fcsp3	0.9333333333333332
Logs	-4.63
Rotatable Bond Count	0.0
Logd	3.352
Synonyms	deoxyarteannuin, hydroarteannuin
Esol Class	Soluble
Functional Groups	C[C@]1(C)OC[C@H](OC(C)=O)O1
Compound Name	Desoxyartemisinin
Prediction Hob Swissadme	0.0
Exact Mass	266.152
Formal Charge	0.0
Monoisotopic Mass	266.152
Hydrogen Bond Acceptor Count	4.0
Molecular Weight	266.33
Gi Absorption	True
Covalent Unit Count	1.0
Total Atom Stereocenter Count	7.0
Total Bond Stereocenter Count	0.0
Lipinski Rule Of 5	True
Esol	-3.2867894
Inchi	InChI=1S/C15H22O4/c1-8-4-5-11-9(2)12(16)17-13-15(11)10(8)6-7-14(3,18-13)19-15/h8-11,13H,4-7H2,1-3H3/t8-,9-,10+,11+,13-,14+,15?/m1/s1
Smiles	C[C@@H]1CC[C@H]2[C@H](C(=O)O[C@H]3C24[C@H]1CC[C@@](O3)(O4)C)C
Nring	4.0
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 Adonis Annua (Plant) Rel Props:Reference:
2. Outgoing r'ship FOUND_IN to/from Aristolochia Longa (Plant) Rel Props:Reference:
3. Outgoing r'ship FOUND_IN to/from Artemisia Abrotanum (Plant) Rel Props:Reference:
4. Outgoing r'ship FOUND_IN to/from Artemisia Absinthium (Plant) Rel Props:Reference:
5. Outgoing r'ship FOUND_IN to/from Artemisia Afra (Plant) Rel Props:Reference:
6. Outgoing r'ship FOUND_IN to/from Artemisia Annua (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
7. Outgoing r'ship FOUND_IN to/from Artemisia Anomala (Plant) Rel Props:Reference:
8. Outgoing r'ship FOUND_IN to/from Artemisia Apiacea (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
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90. Outgoing r'ship FOUND_IN to/from Artemisia Tournefortiana (Plant) Rel Props:Reference:
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99. Outgoing r'ship FOUND_IN to/from Curcuma Amada (Plant) Rel Props:Reference:
100. Outgoing r'ship FOUND_IN to/from Curcuma Angustifolia (Plant) Rel Props:Reference:
101. Outgoing r'ship FOUND_IN to/from Curcuma Aromatica (Plant) Rel Props:Reference:
102. Outgoing r'ship FOUND_IN to/from Curcuma Caesia (Plant) Rel Props:Reference:
103. Outgoing r'ship FOUND_IN to/from Curcuma Domestica (Plant) Rel Props:Reference:
104. Outgoing r'ship FOUND_IN to/from Curcuma Heyneana (Plant) Rel Props:Reference:
105. Outgoing r'ship FOUND_IN to/from Curcuma Inodora (Plant) Rel Props:Reference:
106. Outgoing r'ship FOUND_IN to/from Curcuma Kwangsiensis (Plant) Rel Props:Reference:
107. Outgoing r'ship FOUND_IN to/from Curcuma Longa (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
108. Outgoing r'ship FOUND_IN to/from Curcuma Mangga (Plant) Rel Props:Reference:
109. Outgoing r'ship FOUND_IN to/from Curcuma Montana (Plant) Rel Props:Reference:
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111. Outgoing r'ship FOUND_IN to/from Curcuma Phaeocaulis (Plant) Rel Props:Reference:
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116. Outgoing r'ship FOUND_IN to/from Curcuma Zanthorrhiza (Plant) Rel Props:Reference:
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119. Outgoing r'ship FOUND_IN to/from Martynia Annua (Plant) Rel Props:Reference:
120. Outgoing r'ship FOUND_IN to/from Mercurialis Annua (Plant) Rel Props:Reference:
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122. Outgoing r'ship FOUND_IN to/from Triumfetta Annua (Plant) Rel Props:Reference:
123. Outgoing r'ship FOUND_IN to/from Viguiera Annua (Plant) Rel Props:Reference:

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Desoxyartemisinin

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Phytochemical Properties

Associated Connections 123

Plant Connections 123