Stemoninoamide

PubChem CID: 12116764

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Compound Synonyms	stemoninoamide, (1S,2R,3S,4R,6R)-3-ethyl-3'-methylspiro(5-oxa-10-azatricyclo(8.3.0.02,6)tridecane-4,5'-furan)-2',11-dione, (1S,2R,3S,4R,6R)-3-ethyl-3'-methylspiro[5-oxa-10-azatricyclo[8.3.0.02,6]tridecane-4,5'-furan]-2',11-dione, CHEMBL482672
Ghose Rule	True
Classyfire Kingdom	Organic compounds
Topological Polar Surface Area	55.8
Hydrogen Bond Donor Count	0.0
Pfizer 3 75 Rule	False
Scaffold Graph Level	CC1CCC2(C1)CC1CCCC3C(C)CCC3C1C2
Np Classifier Class	Stemona alkaloids
Deep Smiles	CC[C@H][C@H][C@H]O[C@]5C=CC=O)O5))C)))))CCCN[C@H]7CCC5=O
Heavy Atom Count	22.0
Classyfire Class	Stemona alkaloids
Scaffold Graph Node Level	OC1CCC2(CC3C(CCCN4C(O)CCC34)O2)O1
Classyfire Subclass	Stemoamide-type alkaloids
Isotope Atom Count	0.0
Molecular Complexity	557.0
Database Name	cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem
Defined Atom Stereocenter Count	5.0
Iupac Name	(1S,2R,3S,4R,6R)-3-ethyl-3'-methylspiro[5-oxa-10-azatricyclo[8.3.0.02,6]tridecane-4,5'-furan]-2',11-dione
Prediction Hob	1.0
Veber Rule	True
Classyfire Superclass	Alkaloids and derivatives
Xlogp	1.8
Gsk 4 400 Rule	True
Molecular Formula	C17H23NO4
Scaffold Graph Node Bond Level	O=C1C=CC2(CC3C(CCCN4C(=O)CCC34)O2)O1
Prediction Swissadme	1.0
Inchi Key	DVRWOSGUHQABHJ-SCYMPEOESA-N
Silicos It Class	Soluble
Fcsp3	0.7647058823529411
Logs	-2.843
Rotatable Bond Count	1.0
Logd	2.363
Synonyms	stemoninoamide
Esol Class	Soluble
Functional Groups	CC(=O)N(C)C, CC1=C[C@](C)(OC)OC1=O
Compound Name	Stemoninoamide
Prediction Hob Swissadme	1.0
Exact Mass	305.163
Formal Charge	0.0
Monoisotopic Mass	305.163
Hydrogen Bond Acceptor Count	4.0
Molecular Weight	305.4
Gi Absorption	True
Covalent Unit Count	1.0
Total Atom Stereocenter Count	5.0
Total Bond Stereocenter Count	0.0
Lipinski Rule Of 5	True
Esol	-2.7761188000000003
Inchi	InChI=1S/C17H23NO4/c1-3-11-15-12-6-7-14(19)18(12)8-4-5-13(15)21-17(11)9-10(2)16(20)22-17/h9,11-13,15H,3-8H2,1-2H3/t11-,12-,13+,15+,17-/m0/s1
Smiles	CC[C@H]1[C@@H]2[C@@H]3CCC(=O)N3CCC[C@H]2O[C@]14C=C(C(=O)O4)C
Nring	4.0
Np Classifier Biosynthetic Pathway	Alkaloids
Defined Bond Stereocenter Count	0.0
Egan Rule	True
Np Classifier Superclass	Ornithine alkaloids

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78. Outgoing r'ship FOUND_IN to/from Stemona Parviflora (Plant) Rel Props:Reference:
79. Outgoing r'ship FOUND_IN to/from Stemona Sessilifolia (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
80. Outgoing r'ship FOUND_IN to/from Stemona Tuberosa (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
81. Outgoing r'ship FOUND_IN to/from Tarenna Asiatica (Plant) Rel Props:Reference:
82. Outgoing r'ship FOUND_IN to/from Tarenna Odorata (Plant) Rel Props:Reference:

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Stemoninoamide

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Phytochemical Properties

Associated Connections 82

Plant Connections 82