Stylopin

PubChem CID: 697545

Connections displayed (default: 10).

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Compound Synonyms	Stylopin, Stylopine, l-Tetrahydrocoptisine, J0JS75Q12Z, l-Stylopine, Coptisine, tetrahydro-, (S)-Stylopin, (1R)-5,7,17,19-tetraoxa-13-azahexacyclo[11.11.0.02,10.04,8.015,23.016,20]tetracosa-2,4(8),9,15(23),16(20),21-hexaene, 2,3:9,10-Bis(methylenedioxy)-13a-alpha-berbine, UNII-J0JS75Q12Z, NSC 110382, NSC-110382, (R)-stylopine, Stylopine (VAN), (+)-Stylopine, (+-)-Stylopine, STYLOPINE [MI], (+-)-Tetrahydrocoptisine, 2,3:9,10-BIS(METHYLENEDIOXY)-(-)-TETRAHYDROBERBERINE, SCHEMBL14703887, 13a-alpha-BERBINE, 2,3:9,10-BIS(METHYLENEDIOXY)-, 4H-Bis(1,3)benzodioxolo(5,6-a:4',5'-g)quinolizine, 6,7,12b,13-tetrahydro-, (S)-, 4H-BIS(1,3)BENZODIOXOLO(5,6-A:4',5'-G)QUINOLIZINE, 6,7,12B,13-TETRAHYDRO-, (12BS)-, AKOS000277993, AKOS016023688, FS-7018, NSC 404529, NS00094094, Berbine, 2,3:9,10-bis(methylenedioxy)-, (+-)-, Q27280991, 13A.ALPHA.-BERBINE, 2,3:9,10-BIS(METHYLENEDIOXY)-, 4H-Bis(1,3)benzodioxolo(5,6-a:4',5'-g)quinolizine, 6,7,12b,13-tetrahydro-, 4H-Bis(1,3)benzodioxolo(5,6-a:4',5'-g)quinolizine, 6,7,12b,13-tetrahydro-, (+-)-
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	C1CC2CC3CCC4CC5C(CCC6CCCC65)CC4C3CC2C1
Np Classifier Class	Isoquinoline alkaloids, Protoberberine alkaloids
Deep Smiles	COccO5)cccc6)CCN[C@@H]6Ccccccc6C%10))OCO5
Heavy Atom Count	24.0
Classyfire Class	Protoberberine alkaloids and derivatives
Scaffold Graph Node Level	C1OC2CC3CCN4CC5C(CCC6OCOC65)CC4C3CC2O1
Isotope Atom Count	0.0
Molecular Complexity	502.0
Database Name	cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem
Defined Atom Stereocenter Count	1.0
Iupac Name	(1R)-5,7,17,19-tetraoxa-13-azahexacyclo[11.11.0.02,10.04,8.015,23.016,20]tetracosa-2,4(8),9,15(23),16(20),21-hexaene
Prediction Hob	1.0
Veber Rule	True
Classyfire Superclass	Alkaloids and derivatives
Xlogp	3.0
Gsk 4 400 Rule	True
Molecular Formula	C19H17NO4
Scaffold Graph Node Bond Level	c1cc2c(c3c1CC1c4cc5c(cc4CCN1C3)OCO5)OCO2
Prediction Swissadme	0.0
Inchi Key	UXYJCYXWJGAKQY-OAHLLOKOSA-N
Silicos It Class	Moderately soluble
Fcsp3	0.3684210526315789
Logs	-3.139
Rotatable Bond Count	0.0
Logd	2.739
Synonyms	l-stylopine
Esol Class	Moderately soluble
Functional Groups	CN(C)C, c1cOCO1
Compound Name	Stylopin
Prediction Hob Swissadme	0.0
Exact Mass	323.116
Formal Charge	0.0
Monoisotopic Mass	323.116
Hydrogen Bond Acceptor Count	5.0
Molecular Weight	323.3
Gi Absorption	True
Covalent Unit Count	1.0
Total Atom Stereocenter Count	1.0
Total Bond Stereocenter Count	0.0
Lipinski Rule Of 5	True
Esol	-4.092157600000001
Inchi	InChI=1S/C19H17NO4/c1-2-16-19(24-10-21-16)14-8-20-4-3-12-6-17-18(23-9-22-17)7-13(12)15(20)5-11(1)14/h1-2,6-7,15H,3-5,8-10H2/t15-/m1/s1
Smiles	C1CN2CC3=C(C[C@@H]2C4=CC5=C(C=C41)OCO5)C=CC6=C3OCO6
Nring	6.0
Np Classifier Biosynthetic Pathway	Alkaloids
Defined Bond Stereocenter Count	0.0
Egan Rule	True
Np Classifier Superclass	Tyrosine alkaloids

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83. Outgoing r'ship FOUND_IN to/from Corydalis Tibetica (Plant) Rel Props:Reference:
84. Outgoing r'ship FOUND_IN to/from Corydalis Tuberosa (Plant) Rel Props:Reference:
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90. Outgoing r'ship FOUND_IN to/from Cryptomeria Japonica (Plant) Rel Props:Reference:
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92. Outgoing r'ship FOUND_IN to/from Dactylicapnos Scandens (Plant) Rel Props:Reference:ISBN:9788172360481
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200. Outgoing r'ship FOUND_IN to/from Trapa Japonica (Plant) Rel Props:Reference:
201. Outgoing r'ship FOUND_IN to/from Tropaeolum Majus (Plant) Rel Props:Reference:
202. Outgoing r'ship FOUND_IN to/from Turpinia Ternata (Plant) Rel Props:Reference:
203. Outgoing r'ship FOUND_IN to/from Vitis Pallida (Plant) Rel Props:Reference:
204. Outgoing r'ship FOUND_IN to/from Youngia Japonica (Plant) Rel Props:Reference:

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Phytochemical Properties

Associated Connections 204

Plant Connections 204