Norcepharadione B

PubChem CID: 189168

Connections displayed (default: 10).

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Compound Synonyms	Norcepharadione B, 57576-41-7, norcepharadione, 15,16-dimethoxy-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,13,15-heptaene-11,12-dione, NorcepharadioneB, 1,2-Dimethoxy-4H-dibenzo[de,g]quinoline-4,5(6H)-dione, Norcepharadione, 4H-Dibenzo[de,g]quinoline-4,5(6H)-dione, 1,2-dimethoxy-, CHEMBL227414, DTXSID80206205, HCA57641, HY-N3179, AKOS028108617, DA-76255, FS-10042, CS-0023512, 15,16-DIMETHOXY-10-AZATETRACYCLO[7.7.1.0(2),?.0(1)(3),(1)?]HEPTADECA-1(17),2(7),3,5,8,13,15-HEPTAENE-11,12-DIONE, 15,16-dimethoxy-10-azatetracyclo[7.7.1.0^{2,7.0^{13,17]heptadeca-1(17),2,4,6,8,13,15-heptaene-11,12-dione
Ghose Rule	True
Classyfire Kingdom	Organic compounds
Topological Polar Surface Area	64.599
Hydrogen Bond Donor Count	1.0
Pfizer 3 75 Rule	False
Scaffold Graph Level	CC1CC2CC3CCCCC3C3CCCC(C1C)C23
Np Classifier Class	Aporphine alkaloids
Deep Smiles	COcccC=O)C=O)Ncc6cc%10OC)))cccccc6c%10
Heavy Atom Count	23.0
Classyfire Class	Aporphines
Scaffold Graph Node Level	OC1NC2CC3CCCCC3C3CCCC(C1O)C23
Classyfire Subclass	4,5-dioxoaporphines
Isotope Atom Count	0.0
Molecular Complexity	507.0
Database Name	cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem
Defined Atom Stereocenter Count	0.0
Iupac Name	15,16-dimethoxy-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,13,15-heptaene-11,12-dione
Prediction Hob	1.0
Veber Rule	True
Classyfire Superclass	Alkaloids and derivatives
Xlogp	3.2
Gsk 4 400 Rule	True
Molecular Formula	C18H13NO4
Scaffold Graph Node Bond Level	O=C1Nc2cc3ccccc3c3cccc(c23)C1=O
Prediction Swissadme	0.0
Inchi Key	BAGGDUOPTSQTHD-UHFFFAOYSA-N
Silicos It Class	Poorly soluble
Fcsp3	0.1111111111111111
Logs	-6.856
Rotatable Bond Count	2.0
Logd	2.881
Synonyms	norcepharadione b
Esol Class	Moderately soluble
Functional Groups	cNC(=O)C(c)=O, cOC
Compound Name	Norcepharadione B
Prediction Hob Swissadme	0.0
Exact Mass	307.084
Formal Charge	0.0
Monoisotopic Mass	307.084
Hydrogen Bond Acceptor Count	4.0
Molecular Weight	307.3
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	-4.054525782608697
Inchi	InChI=1S/C18H13NO4/c1-22-13-8-11-14-12(19-18(21)16(11)20)7-9-5-3-4-6-10(9)15(14)17(13)23-2/h3-8H,1-2H3,(H,19,21)
Smiles	COC1=C(C2=C3C(=C1)C(=O)C(=O)NC3=CC4=CC=CC=C42)OC
Nring	4.0
Np Classifier Biosynthetic Pathway	Alkaloids
Defined Bond Stereocenter Count	0.0
Egan Rule	True
Np Classifier Superclass	Tyrosine alkaloids

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Norcepharadione B

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Phytochemical Properties

Associated Connections 135

Plant Connections 135