Cavidine

PubChem CID: 193148

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Compound Synonyms	Cavidine, 32728-75-9, (12S,13R)-16,17-dimethoxy-12-methyl-5,7-dioxa-1-azapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-3(11),4(8),9,14,16,18-hexaene, 9-Dimethoxy-6-methyl-6,6a,11,14-tetrahydro-8,12H-benzo(a)-1,3-benzodioxolo(4,5-g)quinolizine, (+)-cavidine, (12S,13R)-16,17-dimethoxy-12-methyl-5,7-dioxa-1-azapentacyclo(11.8.0.03,11.04,8.014,19)henicosa-3(11),4(8),9,14,16,18-hexaene, 8,9-Dimethoxy-6-methyl-6,11,12,14-tetrahydro-6aH-1,3-dioxolo(4,5-h)isoquino(2,1-b)isoquinoline, 8,9-Dimethoxy-6-methyl-6,11,12,14-tetrahydro-6aH-1,3-dioxolo[4,5-h]isoquino[2,1-b]isoquinoline, CHEMBL453544, DTXSID00954392, AKOS032946015, HY-101546A, CS-0138765, 8,9-Dimethoxy-6-methyl-6,11,12,14-tetrahydro-2H,6aH-[1,3]dioxolo[4,5-h]isoquinolino[2,1-b]isoquinoline
Ghose Rule	True
Classyfire Kingdom	Organic compounds
Topological Polar Surface Area	40.2
Hydrogen Bond Donor Count	0.0
Pfizer 3 75 Rule	False
Scaffold Graph Level	C1CCC2C(C1)CCC1CC3C(CCC4CCCC43)CC12
Np Classifier Class	Isoquinoline alkaloids, Protoberberine alkaloids
Deep Smiles	COcccccc6OC))))CCN[C@@H]6[C@@H]C)ccC6)cOCOc5cc9
Heavy Atom Count	26.0
Classyfire Class	Protoberberine alkaloids and derivatives
Scaffold Graph Node Level	C1CCC2C(C1)CCN1CC3C(CCC4OCOC43)CC21
Isotope Atom Count	0.0
Molecular Complexity	516.0
Database Name	imppat_phytochem;npass_chem_all;pubchem
Defined Atom Stereocenter Count	2.0
Iupac Name	(12S,13R)-16,17-dimethoxy-12-methyl-5,7-dioxa-1-azapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-3(11),4(8),9,14,16,18-hexaene
Veber Rule	True
Classyfire Superclass	Alkaloids and derivatives
Xlogp	3.4
Gsk 4 400 Rule	True
Molecular Formula	C21H23NO4
Scaffold Graph Node Bond Level	c1ccc2c(c1)CCN1Cc3c(ccc4c3OCO4)CC21
Inchi Key	JTZZGWPIBBTYNE-FKIZINRSSA-N
Silicos It Class	Moderately soluble
Rotatable Bond Count	2.0
Synonyms	cavidine, dehydrocavidine
Esol Class	Moderately soluble
Functional Groups	CN(C)C, c1cOCO1, cOC
Compound Name	Cavidine
Exact Mass	353.163
Formal Charge	0.0
Monoisotopic Mass	353.163
Hydrogen Bond Acceptor Count	5.0
Molecular Weight	353.4
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
Inchi	InChI=1S/C21H23NO4/c1-12-14-4-5-17-21(26-11-25-17)16(14)10-22-7-6-13-8-18(23-2)19(24-3)9-15(13)20(12)22/h4-5,8-9,12,20H,6-7,10-11H2,1-3H3/t12-,20+/m0/s1
Smiles	C[C@@H]1[C@@H]2C3=CC(=C(C=C3CCN2CC4=C1C=CC5=C4OCO5)OC)OC
Np Classifier Biosynthetic Pathway	Alkaloids
Defined Bond Stereocenter Count	0.0
Egan Rule	True
Np Classifier Superclass	Tyrosine alkaloids

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26. Outgoing r'ship FOUND_IN to/from Corydalis Meifolia (Plant) Rel Props:Source_db:npass_chem_all
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49. Outgoing r'ship FOUND_IN to/from Corydalis Thalictrifolia (Plant) Rel Props:Reference:
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55. Outgoing r'ship FOUND_IN to/from Corydalis Yanhusuo (Plant) Rel Props:Reference:

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Cavidine

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Phytochemical Properties

Associated Connections 55

Plant Connections 55