Lysergamide

PubChem CID: 442072

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Compound Synonyms	LYSERGAMIDE, Ergine, 478-94-4, Lysergic acid amide, (+)-Lysergamide, d-Lyergic acid amide, D-Lysergic acid amide, 9,10-Didehydro-6-methylergoline-8beta-carboxamide, CHEBI:4819, LYSERGAMIDE [MI], EINECS 207-524-0, BRN 0090708, 073830XH10, DTXSID20893673, 4-25-00-00937 (Beilstein Handbook Reference), 9,10-didehydro-6-methylergoline-8 beta-carboxamide, (8R)-9,10-didehydro-6-methylergoline-8-carboxamide, 9,10-Didehydro-6-methyl-ergoline-8-beta-carboxamide, Ergoline-8-beta-carboxamide, 9,10-didehydro-6-methyl-, (6aR,9R)-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide, (8.BETA.)-9,10-DIDEHYDRO-6-METHYLERGOLINE-8-CARBOXAMIDE, (6aR,9R)-7-methyl-4,6,6a,7,8,9-hexahydroindolo[4,3-fg]quinoline-9-carboxamide, d-Lysergamide, UNII-073830XH10, 6-methyl-6,11-diazatetracyclo(7.6.1.02,7.012,16)hexadeca-1(16),2,9,12,14-pentaene-4-carboxamide, 6-methyl-6,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2,9,12,14-pentaene-4-carboxamide, Ergine (Lysergic acid amide), SCHEMBL183540, CHEMBL227213, DEA No. 7310, SCHEMBL11218830, DTXCID901323795, PDSP2_001113, AKOS030240648, DB-230603, NS00042929, C09160, ERGOMETRINE MALEATE IMPURITY C [EP IMPURITY], Q2041643, (8beta)-6-methyl-9,10-didehydroergoline-8-carboxamide, (8BETA)-9,10-DIDEHYDRO-6-METHYLERGOLINE-8-CARBOXAMIDE, (4R,7R)-6-methyl-6,11-diazatetracyclo[7.6.1.0?,?.0??,??]hexadeca-1(15),2,9,12(16),13-pentaene-4-carboxamide
Ghose Rule	True
Classyfire Kingdom	Organic compounds
Topological Polar Surface Area	62.1
Hydrogen Bond Donor Count	2.0
Pfizer 3 75 Rule	False
Scaffold Graph Level	C1CCC2C(C1)CC1CCC3CCCC2C31
Np Classifier Class	Ergot alkaloids
Deep Smiles	CNC[C@@H]C=C[C@H]6Ccc[nH]cc5c9ccc6)))))))))))))C=O)N
Heavy Atom Count	20.0
Classyfire Class	Ergoline and derivatives
Scaffold Graph Node Level	C1CNC2CC3CNC4CCCC(C2C1)C34
Classyfire Subclass	Lysergic acids and derivatives
Isotope Atom Count	0.0
Molecular Complexity	461.0
Database Name	cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem
Defined Atom Stereocenter Count	2.0
Uniprot Id	P61169, P21728, P14416, P30542, P29274
Iupac Name	(6aR,9R)-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
Prediction Hob	1.0
Veber Rule	True
Classyfire Superclass	Alkaloids and derivatives
Xlogp	1.6
Gsk 4 400 Rule	True
Molecular Formula	C16H17N3O
Scaffold Graph Node Bond Level	C1=C2c3cccc4[nH]cc(c34)CC2NCC1
Prediction Swissadme	1.0
Inchi Key	GENAHGKEFJLNJB-QMTHXVAHSA-N
Silicos It Class	Soluble
Fcsp3	0.3125
Logs	-1.982
Rotatable Bond Count	1.0
Logd	1.252
Synonyms	ergine, lysergic acid amide
Esol Class	Soluble
Functional Groups	CC(N)=O, CN(C)C, cC(C)=CC, c[nH]c
Compound Name	Lysergamide
Prediction Hob Swissadme	1.0
Exact Mass	267.137
Formal Charge	0.0
Monoisotopic Mass	267.137
Hydrogen Bond Acceptor Count	2.0
Molecular Weight	267.33
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	-3.2575584000000006
Inchi	InChI=1S/C16H17N3O/c1-19-8-10(16(17)20)5-12-11-3-2-4-13-15(11)9(7-18-13)6-14(12)19/h2-5,7,10,14,18H,6,8H2,1H3,(H2,17,20)/t10-,14-/m1/s1
Smiles	CN1C[C@@H](C=C2[C@H]1CC3=CNC4=CC=CC2=C34)C(=O)N
Nring	4.0
Np Classifier Biosynthetic Pathway	Alkaloids
Defined Bond Stereocenter Count	0.0
Egan Rule	True
Np Classifier Superclass	Tryptophan alkaloids

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84. Outgoing r'ship FOUND_IN to/from Walsura Yunnanensis (Plant) Rel Props:Reference:

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Lysergamide

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Phytochemical Properties

Associated Connections 84

Plant Connections 84