Citbrasine

PubChem CID: 19093029

Connections displayed (default: 10).

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Compound Synonyms	Citibrasine, Citbrasine, CHEMBL1668599, GTPL8561, SCHEMBL9352197, DTXSID401192210, BDBM50336482, compound 7 [PMID: 21277783], 86680-34-4, 1,5-Dihydroxy-2,3,4-trimethoxy-10-methylacridone, Q27076083, 1,5-dihydroxy-2,3,4-trimethoxy-10-methylacridin-9-one, 1,5-Dihydroxy-2,3,4-trimethoxy-10-methyl-9(10H)-acridinone, 1,5-dihydroxy-2,3,4-trimethoxy-10-methyl-9,10-dihydroacridin-9-one
Ghose Rule	True
Classyfire Kingdom	Organic compounds
Topological Polar Surface Area	88.5
Hydrogen Bond Donor Count	2.0
Pfizer 3 75 Rule	True
Scaffold Graph Level	CC1C2CCCCC2CC2CCCCC21
Np Classifier Class	Acridone alkaloids
Deep Smiles	COccOC))cOC))ccc6O))c=O)ccn6C))cO)ccc6
Heavy Atom Count	24.0
Classyfire Class	Quinolines and derivatives
Description	Alkaloid from the root bark of Citrus sinensis variety brasiliensis (navel orange). Citbrasine is found in citrus.
Scaffold Graph Node Level	OC1C2CCCCC2NC2CCCCC21
Classyfire Subclass	Benzoquinolines
Isotope Atom Count	0.0
Molecular Complexity	474.0
Database Name	cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;imppat_phytochem;npass_chem_all;pubchem
Defined Atom Stereocenter Count	0.0
Uniprot Id	O60911
Iupac Name	1,5-dihydroxy-2,3,4-trimethoxy-10-methylacridin-9-one
Prediction Hob	1.0
Class	Quinolines and derivatives
Veber Rule	True
Classyfire Superclass	Organoheterocyclic compounds
Target Id	NPT601
Xlogp	2.9
Superclass	Organoheterocyclic compounds
Subclass	Benzoquinolines
Gsk 4 400 Rule	True
Molecular Formula	C17H17NO6
Scaffold Graph Node Bond Level	O=c1c2ccccc2[nH]c2ccccc12
Prediction Swissadme	0.0
Inchi Key	QYPQTPVQPNLXHV-UHFFFAOYSA-N
Silicos It Class	Moderately soluble
Fcsp3	0.2352941176470588
Logs	-3.784
Rotatable Bond Count	3.0
State	Solid
Logd	2.06
Synonyms	1,5-Dihydroxy-2,3,4-trimethoxy-10-methylacridone, Citbrasine, citbrasine
Esol Class	Soluble
Functional Groups	c=O, cO, cOC, cn(c)C
Compound Name	Citbrasine
Kingdom	Organic compounds
Prediction Hob Swissadme	0.0
Exact Mass	331.106
Formal Charge	0.0
Monoisotopic Mass	331.106
Hydrogen Bond Acceptor Count	7.0
Molecular Weight	331.32
Gi Absorption	True
Covalent Unit Count	1.0
Total Atom Stereocenter Count	0.0
Total Bond Stereocenter Count	0.0
Molecular Framework	Aromatic heteropolycyclic compounds
Lipinski Rule Of 5	True
Esol	-4.591175466666666
Inchi	InChI=1S/C17H17NO6/c1-18-11-8(6-5-7-9(11)19)13(20)10-12(18)15(22-2)17(24-4)16(23-3)14(10)21/h5-7,19,21H,1-4H3
Smiles	CN1C2=C(C=CC=C2O)C(=O)C3=C1C(=C(C(=C3O)OC)OC)OC
Nring	3.0
Np Classifier Biosynthetic Pathway	Alkaloids
Defined Bond Stereocenter Count	0.0
Egan Rule	True
Taxonomy Direct Parent	Acridones
Np Classifier Superclass	Anthranilic acid alkaloids

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5. Outgoing r'ship FOUND_IN to/from Citrus Sinensis (Plant) Rel Props:Reference:https://doi.org/10.2174/0929867033456729
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82. Outgoing r'ship FOUND_IN to/from Hortia Arborea (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
83. Outgoing r'ship FOUND_IN to/from Iris Lactea (Plant) Rel Props:Reference:
84. Outgoing r'ship FOUND_IN to/from Mastixia Arborea (Plant) Rel Props:Reference:
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88. Outgoing r'ship FOUND_IN to/from Vernonia Arborea (Plant) Rel Props:Reference:
89. Outgoing r'ship FOUND_IN to/from Wrightia Arborea (Plant) Rel Props:Reference:

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Citbrasine

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Phytochemical Properties

Associated Connections 89

Plant Connections 89