Homostephanoline

PubChem CID: 627343

Connections displayed (default: 10).

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Compound Synonyms	Homostephanoline, VCOZOQJXGDDART-UHFFFAOYSA-N, 3-Hydroxy-4,7,8-trimethoxy-17-methyl-7,8-didehydrohasubanan-6-one #
Ghose Rule	True
Classyfire Kingdom	Organic compounds
Topological Polar Surface Area	68.2
Hydrogen Bond Donor Count	1.0
Pfizer 3 75 Rule	False
Scaffold Graph Level	CC1CCC23CCCC2(C1)C1CCCCC1CC3
Np Classifier Class	Hasubanan alkaloids, Isoquinoline alkaloids
Deep Smiles	COC=COC))CCCC6=O)))CCN5C))))ccCC6))cccc6OC)))O
Heavy Atom Count	26.0
Classyfire Class	Hasubanan alkaloids
Scaffold Graph Node Level	OC1CCC23CCC4CCCCC4C2(CCN3)C1
Isotope Atom Count	0.0
Molecular Complexity	634.0
Database Name	cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem
Defined Atom Stereocenter Count	0.0
Iupac Name	4-hydroxy-3,11,12-trimethoxy-17-methyl-17-azatetracyclo[8.4.3.01,10.02,7]heptadeca-2(7),3,5,11-tetraen-13-one
Prediction Hob	1.0
Veber Rule	True
Classyfire Superclass	Alkaloids and derivatives
Xlogp	1.7
Gsk 4 400 Rule	True
Molecular Formula	C20H25NO5
Scaffold Graph Node Bond Level	O=C1C=CC23CCc4ccccc4C2(CCN3)C1
Prediction Swissadme	1.0
Inchi Key	VCOZOQJXGDDART-UHFFFAOYSA-N
Silicos It Class	Moderately soluble
Fcsp3	0.55
Logs	-2.998
Rotatable Bond Count	3.0
Logd	2.341
Synonyms	homostephanoline
Esol Class	Soluble
Functional Groups	CN(C)C, COC(C)=C(OC)C(C)=O, cO, cOC
Compound Name	Homostephanoline
Prediction Hob Swissadme	1.0
Exact Mass	359.173
Formal Charge	0.0
Monoisotopic Mass	359.173
Hydrogen Bond Acceptor Count	6.0
Molecular Weight	359.4
Gi Absorption	True
Covalent Unit Count	1.0
Total Atom Stereocenter Count	2.0
Total Bond Stereocenter Count	0.0
Lipinski Rule Of 5	True
Esol	-3.137385630769231
Inchi	InChI=1S/C20H25NO5/c1-21-10-9-19-11-14(23)17(25-3)18(26-4)20(19,21)8-7-12-5-6-13(22)16(24-2)15(12)19/h5-6,22H,7-11H2,1-4H3
Smiles	CN1CCC23C1(CCC4=C2C(=C(C=C4)O)OC)C(=C(C(=O)C3)OC)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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103. Outgoing r'ship FOUND_IN to/from Stephania Glabra (Plant) Rel Props:Reference:
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108. Outgoing r'ship FOUND_IN to/from Stephania Japonica (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
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126. Outgoing r'ship FOUND_IN to/from Youngia Japonica (Plant) Rel Props:Reference:

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Homostephanoline

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Phytochemical Properties

Associated Connections 126

Plant Connections 126