Dihydronitidine

PubChem CID: 99641

Connections displayed (default: 10).

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Compound Synonyms	Dihydronitidine, 13063-06-4, Nitidine, dihydro-, 2,3-dimethoxy-12-methyl-13H-[1,3]benzodioxolo[5,6-c]phenanthridine, NSC254666, C21H19NO4, [1,3]Benzodioxolo[5,6-c]phenanthridine, 12,13-dihydro-2,3-dimethoxy-12-methyl-, NITIDINE, DIHYDRO, (1,3)Benzodioxolo(5,6-c)phenanthridine, 12,13-dihydro-2,3-dimethoxy-12-methyl-, 5,6-dihydronitidine, CHEMBL487807, SCHEMBL11749474, DTXSID20156654, MTVOSXTZNVKGIF-UHFFFAOYSA-N, HY-N11979, AT46100, NSC 254666, NSC-254666, DA-69314, CS-0890232, [1,6-c]phenanthridine, 12,13-dihydro-2,3-dimethoxy-12-methyl-, [1,3]Benzodioxolo[5,6-c]phenanthridine,12,13-dihydro-2,3-dimethoxy-12-methyl-, 12,13-dihydro-2,3-dimethoxy-12-methyl-(1,3)benzodioxolo(5,6-c)phenanthridine, 2,3-Dimethoxy-12-methyl-12,13-dihydro[1,3]benzodioxolo[5,6-c]phenanthridine #
Ghose Rule	True
Classyfire Kingdom	Organic compounds
Topological Polar Surface Area	40.2
Hydrogen Bond Donor Count	0.0
Pfizer 3 75 Rule	False
Scaffold Graph Level	C1CC2CC3CCC4C5CCCCC5CCC4C3CC2C1
Np Classifier Class	Isoquinoline alkaloids
Deep Smiles	COccc-cccccc6NCc%10cc%14OC))))))C)))cccc6)OCO5
Heavy Atom Count	26.0
Classyfire Class	Quinolines and derivatives
Scaffold Graph Node Level	C1CCC2C(C1)CNC1C3CC4OCOC4CC3CCC21
Classyfire Subclass	Benzoquinolines
Isotope Atom Count	0.0
Molecular Complexity	516.0
Database Name	cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem
Defined Atom Stereocenter Count	0.0
Iupac Name	2,3-dimethoxy-12-methyl-13H-[1,3]benzodioxolo[5,6-c]phenanthridine
Prediction Hob	1.0
Veber Rule	True
Classyfire Superclass	Organoheterocyclic compounds
Xlogp	4.2
Gsk 4 400 Rule	False
Molecular Formula	C21H19NO4
Scaffold Graph Node Bond Level	c1ccc2c(c1)CNc1c-2ccc2cc3c(cc12)OCO3
Prediction Swissadme	0.0
Inchi Key	MTVOSXTZNVKGIF-UHFFFAOYSA-N
Silicos It Class	Poorly soluble
Fcsp3	0.238095238095238
Logs	-7.079
Rotatable Bond Count	2.0
Logd	3.722
Synonyms	dihydronitidine
Esol Class	Moderately soluble
Functional Groups	c1cOCO1, cN(C)C, cOC
Compound Name	Dihydronitidine
Prediction Hob Swissadme	0.0
Exact Mass	349.131
Formal Charge	0.0
Monoisotopic Mass	349.131
Hydrogen Bond Acceptor Count	5.0
Molecular Weight	349.4
Gi Absorption	True
Covalent Unit Count	1.0
Total Atom Stereocenter Count	0.0
Total Bond Stereocenter Count	0.0
Lipinski Rule Of 5	True
Esol	-5.0070778153846165
Inchi	InChI=1S/C21H19NO4/c1-22-10-13-7-17(23-2)18(24-3)8-15(13)14-5-4-12-6-19-20(26-11-25-19)9-16(12)21(14)22/h4-9H,10-11H2,1-3H3
Smiles	CN1CC2=CC(=C(C=C2C3=C1C4=CC5=C(C=C4C=C3)OCO5)OC)OC
Nring	5.0
Np Classifier Biosynthetic Pathway	Alkaloids
Defined Bond Stereocenter Count	0.0
Egan Rule	True
Np Classifier Superclass	Tyrosine alkaloids

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51. Outgoing r'ship FOUND_IN to/from Zanthoxylum Nitidum (Plant) Rel Props:Reference:ISBN:9788185042114

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Dihydronitidine

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Phytochemical Properties

Associated Connections 51

Plant Connections 51