Erythrinine

PubChem CID: 3084503

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Compound Synonyms	Erythrinine, 29306-29-4, DTXSID70183551, (1S,11R,19R)-19-methoxy-5,7-dioxa-13-azapentacyclo[11.7.0.01,16.02,10.04,8]icosa-2,4(8),9,15,17-pentaen-11-ol, Erythrinan-11-ol, 1,2,6,7-tetradehydro-3-methoxy-15,16-(methylenebis(oxy))-, (3beta,11alpha)-, (1S,11R,19R)-19-methoxy-5,7-dioxa-13-azapentacyclo(11.7.0.01,16.02,10.04,8)icosa-2,4(8),9,15,17-pentaen-11-ol, DTXCID10106042
Ghose Rule	True
Classyfire Kingdom	Organic compounds
Topological Polar Surface Area	51.2
Hydrogen Bond Donor Count	1.0
Pfizer 3 75 Rule	False
Scaffold Graph Level	C1CC2CC3CCC4CCC5CCCCC54C3CC2C1
Np Classifier Class	Indolizidine alkaloids
Deep Smiles	CO[C@H]C=CC=CCN[C@]5C9)cccOCOc5cc9[C@H]C%13)O
Heavy Atom Count	23.0
Classyfire Class	Erythrina alkaloids
Scaffold Graph Node Level	C1CCC23C(C1)CCN2CCC1CC2OCOC2CC13
Classyfire Subclass	Erythrinanes
Isotope Atom Count	0.0
Molecular Complexity	561.0
Database Name	imppat_phytochem;npass_chem_all;pubchem
Defined Atom Stereocenter Count	3.0
Iupac Name	(1S,11R,19R)-19-methoxy-5,7-dioxa-13-azapentacyclo[11.7.0.01,16.02,10.04,8]icosa-2,4(8),9,15,17-pentaen-11-ol
Veber Rule	True
Classyfire Superclass	Alkaloids and derivatives
Xlogp	0.9
Gsk 4 400 Rule	True
Molecular Formula	C18H19NO4
Scaffold Graph Node Bond Level	C1=CC2=CCN3CCc4cc5c(cc4C23CC1)OCO5
Inchi Key	VBJYPSPIKMUCLP-QITLCBANSA-N
Silicos It Class	Soluble
Rotatable Bond Count	1.0
Synonyms	erythrinine
Esol Class	Soluble
Functional Groups	CC=C(C)C=CC, CN(C)C, CO, COC, c1cOCO1
Compound Name	Erythrinine
Exact Mass	313.131
Formal Charge	0.0
Monoisotopic Mass	313.131
Hydrogen Bond Acceptor Count	5.0
Molecular Weight	313.3
Gi Absorption	True
Covalent Unit Count	1.0
Total Atom Stereocenter Count	3.0
Total Bond Stereocenter Count	0.0
Lipinski Rule Of 5	True
Inchi	InChI=1S/C18H19NO4/c1-21-12-3-2-11-4-5-19-9-15(20)13-6-16-17(23-10-22-16)7-14(13)18(11,19)8-12/h2-4,6-7,12,15,20H,5,8-10H2,1H3/t12-,15-,18-/m0/s1
Smiles	CO[C@@H]1C[C@@]23C(=CCN2C[C@@H](C4=CC5=C(C=C34)OCO5)O)C=C1
Np Classifier Biosynthetic Pathway	Alkaloids
Defined Bond Stereocenter Count	0.0
Egan Rule	True
Np Classifier Superclass	Lysine alkaloids

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Erythrinine

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Phytochemical Properties

Associated Connections 56

Plant Connections 56