Candidine

PubChem CID: 5320815

Connections displayed (default: 10).

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Compound Synonyms	Candidine, NSC-600586, NSC600586, (6Z)-6-(3-oxo-1H-indol-2-ylidene)indolo[2,1-b]quinazolin-12-one, Cadinine, (6Z)-6-(3-oxo-1H-indol-2-ylidene)indolo(2,1-b)quinazolin-12-one, CHEMBL503442, SCHEMBL12290061, NSC827098, NSC-827098, Indolo[2, 6-(1,3-dihydro-3-oxo-2H-indol-2-ylidene)-
Ghose Rule	True
Classyfire Kingdom	Organic compounds
Topological Polar Surface Area	61.8
Hydrogen Bond Donor Count	1.0
Pfizer 3 75 Rule	False
Scaffold Graph Level	CC1C2CCCCC2CC1C1C2CCCCC2C2C(C)C3CCCCC3CC21
Np Classifier Class	Quinazoline alkaloids
Deep Smiles	O=Ccccccc6N/C/9=ccncccccc6c=O)n%10cc%13cccc6
Heavy Atom Count	28.0
Classyfire Class	Diazanaphthalenes
Scaffold Graph Node Level	OC1C2CCCCC2NC1C1C2CCCCC2N2C(O)C3CCCCC3NC12
Classyfire Subclass	Benzodiazines
Isotope Atom Count	0.0
Molecular Complexity	785.0
Database Name	cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem
Defined Atom Stereocenter Count	0.0
Uniprot Id	P15559
Iupac Name	(6Z)-6-(3-oxo-1H-indol-2-ylidene)indolo[2,1-b]quinazolin-12-one
Prediction Hob	1.0
Veber Rule	True
Classyfire Superclass	Organoheterocyclic compounds
Target Id	NPT935
Xlogp	3.7
Gsk 4 400 Rule	True
Molecular Formula	C23H13N3O2
Scaffold Graph Node Bond Level	O=C1C(=c2c3ccccc3n3c(=O)c4ccccc4nc23)Nc2ccccc21
Prediction Swissadme	0.0
Inchi Key	DXENDDMPDZMHSQ-VXPUYCOJSA-N
Silicos It Class	Poorly soluble
Fcsp3	0.0
Logs	-6.966
Rotatable Bond Count	0.0
Logd	3.794
Synonyms	qingdainone
Esol Class	Moderately soluble
Functional Groups	CC(c)=O, CNc, c=O, cn(c)c, cnc
Compound Name	Candidine
Prediction Hob Swissadme	0.0
Exact Mass	363.101
Formal Charge	0.0
Monoisotopic Mass	363.101
Hydrogen Bond Acceptor Count	4.0
Molecular Weight	363.4
Gi Absorption	True
Covalent Unit Count	1.0
Total Atom Stereocenter Count	0.0
Total Bond Stereocenter Count	1.0
Lipinski Rule Of 5	True
Esol	-6.6886883428571435
Inchi	InChI=1S/C23H13N3O2/c27-21-13-7-1-4-10-16(13)24-20(21)19-15-9-3-6-12-18(15)26-22(19)25-17-11-5-2-8-14(17)23(26)28/h1-12,24H/b20-19-
Smiles	C1=CC=C2C(=C1)C(=O)/C(=C/3\C4=CC=CC=C4N5C3=NC6=CC=CC=C6C5=O)/N2
Nring	6.0
Np Classifier Biosynthetic Pathway	Alkaloids
Defined Bond Stereocenter Count	1.0
Egan Rule	True
Np Classifier Superclass	Anthranilic acid alkaloids

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38. Outgoing r'ship FOUND_IN to/from Persicaria Tinctoria (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
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58. Outgoing r'ship FOUND_IN to/from Phaius Mishmensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
59. Outgoing r'ship FOUND_IN to/from Strobilanthes Cusia (Plant) Rel Props:Reference:ISBN:9788185042138
60. Outgoing r'ship FOUND_IN to/from Wendlandia Tinctoria (Plant) Rel Props:Reference:
61. Outgoing r'ship FOUND_IN to/from Wrightia Tinctoria (Plant) Rel Props:Reference:

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Candidine

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Phytochemical Properties

Associated Connections 61

Plant Connections 61