Pseudoaspidin

PubChem CID: 5320755

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Compound Synonyms	Pseudoaspidin, 478-28-4, 1-[3-[(3-butanoyl-2,6-dihydroxy-4-methoxy-5-methylphenyl)methyl]-2,4-dihydroxy-6-methoxy-5-methylphenyl]butan-1-one, 1-{3-[(3-butanoyl-2,6-dihydroxy-4-methoxy-5-methylphenyl)methyl]-2,4-dihydroxy-6-methoxy-5-methylphenyl}butan-1-one, HY-N2141, AKOS037515291, FS-7084, DA-57191, CS-0018692
Ghose Rule	True
Classyfire Kingdom	Organic compounds
Topological Polar Surface Area	134.0
Hydrogen Bond Donor Count	4.0
Pfizer 3 75 Rule	False
Scaffold Graph Level	C1CCC(CC2CCCCC2)CC1
Np Classifier Class	Dimeric phloroglucinols
Deep Smiles	CCCC=O)ccO)cCccO)cC)ccc6O))C=O)CCC)))))OC)))))))ccc6OC)))C))O
Heavy Atom Count	33.0
Classyfire Class	Benzene and substituted derivatives
Scaffold Graph Node Level	C1CCC(CC2CCCCC2)CC1
Classyfire Subclass	Diphenylmethanes
Isotope Atom Count	0.0
Molecular Complexity	600.0
Database Name	cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem
Defined Atom Stereocenter Count	0.0
Iupac Name	1-[3-[(3-butanoyl-2,6-dihydroxy-4-methoxy-5-methylphenyl)methyl]-2,4-dihydroxy-6-methoxy-5-methylphenyl]butan-1-one
Prediction Hob	0.0
Veber Rule	True
Classyfire Superclass	Benzenoids
Xlogp	5.2
Gsk 4 400 Rule	False
Molecular Formula	C25H32O8
Scaffold Graph Node Bond Level	c1ccc(Cc2ccccc2)cc1
Prediction Swissadme	0.0
Inchi Key	ASBDWVACJRRBIZ-UHFFFAOYSA-N
Silicos It Class	Poorly soluble
Fcsp3	0.44
Logs	-5.004
Rotatable Bond Count	10.0
Logd	4.523
Synonyms	pseudoaspidin
Esol Class	Moderately soluble
Functional Groups	cC(C)=O, cO, cOC
Compound Name	Pseudoaspidin
Prediction Hob Swissadme	0.0
Exact Mass	460.21
Formal Charge	0.0
Monoisotopic Mass	460.21
Hydrogen Bond Acceptor Count	8.0
Molecular Weight	460.5
Gi Absorption	False
Covalent Unit Count	1.0
Total Atom Stereocenter Count	0.0
Total Bond Stereocenter Count	0.0
Lipinski Rule Of 5	True
Esol	-5.59293350909091
Inchi	InChI=1S/C25H32O8/c1-7-9-16(26)18-22(30)14(20(28)12(3)24(18)32-5)11-15-21(29)13(4)25(33-6)19(23(15)31)17(27)10-8-2/h28-31H,7-11H2,1-6H3
Smiles	CCCC(=O)C1=C(C(=C(C(=C1O)CC2=C(C(=C(C(=C2O)C)OC)C(=O)CCC)O)O)C)OC
Nring	5.0
Np Classifier Biosynthetic Pathway	Polyketides
Defined Bond Stereocenter Count	0.0
Egan Rule	False
Np Classifier Superclass	Phloroglucinols

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97. Outgoing r'ship FOUND_IN to/from Viola Pilosa (Plant) Rel Props:Reference:

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Pseudoaspidin

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Phytochemical Properties

Associated Connections 97

Plant Connections 97