Cryptolepine

PubChem CID: 82143

Connections displayed (default: 10).

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Compound Synonyms	Cryptolepine, 480-26-2, 5-methylindolo[3,2-b]quinoline, 5H-Quindoline, 5-methyl-, 5-METHYL-5H-INDOLO[3,2-B]QUINOLINE, CCRIS 9019, CHEBI:3930, OF1UIT4RDH, Cryptolepine hydrate, UNII-OF1UIT4RDH, DTXSID6037645, 5-methylindolo(3,2-b)quinoline, 5-methyl-5H-indolo(3,2-b)quinoline, NSC647765, 5-Methyl-5H-quindoline hydrate, 5-Methylquindoline, 5-methylquinolo(2',3'-3,2)indole, C09142, SCHEMBL542771, CHEMBL119096, DTXCID4017645, KURWKDDWCJELSV-UHFFFAOYSA-N, BDBM50412201, BDBM50589259, MFCD17215953, Q5190964
Ghose Rule	True
Classyfire Kingdom	Organic compounds
Topological Polar Surface Area	17.8
Hydrogen Bond Donor Count	0.0
Pfizer 3 75 Rule	False
Scaffold Graph Level	C1CCC2CC3C(CC2C1)CC1CCCCC13
Deep Smiles	Cncccccc6cc-c%10cccccc6n9
Heavy Atom Count	18.0
Classyfire Class	Quinolines and derivatives
Scaffold Graph Node Level	C1CCC2NC3C(CC2C1)NC1CCCCC13
Classyfire Subclass	Indoloquinolines
Isotope Atom Count	0.0
Molecular Complexity	316.0
Database Name	cmaup_ingredients;hmdb_chem_all;imppat_phytochem;npass_chem_all;pubchem
Defined Atom Stereocenter Count	0.0
Uniprot Id	O14746
Iupac Name	5-methylindolo[3,2-b]quinoline
Prediction Hob	1.0
Class	Quinolines and derivatives
Veber Rule	True
Classyfire Superclass	Organoheterocyclic compounds
Target Id	NPT144
Xlogp	3.3
Superclass	Organoheterocyclic compounds
Subclass	Indoloquinolines
Gsk 4 400 Rule	True
Molecular Formula	C16H12N2
Scaffold Graph Node Bond Level	c1ccc2[nH]c3c4ccccc4nc-3cc2c1
Prediction Swissadme	0.0
Inchi Key	KURWKDDWCJELSV-UHFFFAOYSA-N
Silicos It Class	Moderately soluble
Fcsp3	0.0625
Logs	-6.067
Rotatable Bond Count	0.0
Logd	4.035
Synonyms	CCRIS 9019, 10H-Indolo(3,2-b)quinoline, 5-Methylquinolo(2',3'-3,2)indole, Cryptolepine monohydrochloride, cryptolepine
Esol Class	Moderately soluble
Functional Groups	cn(c)C, cnc
Compound Name	Cryptolepine
Kingdom	Organic compounds
Prediction Hob Swissadme	0.0
Exact Mass	232.1
Formal Charge	0.0
Monoisotopic Mass	232.1
Hydrogen Bond Acceptor Count	1.0
Molecular Weight	232.28
Gi Absorption	True
Covalent Unit Count	1.0
Total Atom Stereocenter Count	0.0
Total Bond Stereocenter Count	0.0
Molecular Framework	Aromatic heteropolycyclic compounds
Lipinski Rule Of 5	True
Esol	-4.303762088888888
Inchi	InChI=1S/C16H12N2/c1-18-15-9-5-2-6-11(15)10-14-16(18)12-7-3-4-8-13(12)17-14/h2-10H,1H3
Smiles	CN1C2=CC=CC=C2C=C3C1=C4C=CC=CC4=N3
Nring	4.0
Np Classifier Biosynthetic Pathway	Alkaloids
Defined Bond Stereocenter Count	0.0
Egan Rule	True
Taxonomy Direct Parent	Indoloquinolines
Np Classifier Superclass	Anthranilic acid alkaloids

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80. Outgoing r'ship FOUND_IN to/from Sida Rhombifolia (Plant) Rel Props:Reference:ISBN:9789327275590
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98. Outgoing r'ship FOUND_IN to/from Yucca Recurvifolia (Plant) Rel Props:Reference:

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Phytochemical Properties

Associated Connections 98

Plant Connections 98