Molecule

Clausine E

AlkaPlorer ID: AK031912

Synonym: None

IUPAC Name: methyl 1-hydroxy-9H-carbazole-3-carboxylate

Structure

SMILES: COC(=O)C1=CC(O)=C2NC3=CC=CC=C3C2=C1

InChI: InChI=1S/C14H11NO3/c1-18-14(17)8-6-10-9-4-2-3-5-11(9)15-13(10)12(16)7-8/h2-7,15-16H,1H3

InChIKey: ZWPODTIRGFOENJ-UHFFFAOYSA-N

Reference

Carbazole alkaloids from the stems of <i>Clausena excavata</i>

PubChem CID: 5315951

CAS: 182261-83-2

LOTUS: LTS0245787

COCONUT: CNP0248536

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Clausena excavata	Clausena	Rutaceae	Sapindales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota

Properties Information

Molecule Weight: 241.246

TPSA？: 62.32

MolLogP？: 2.813300000000001

Number of H-Donors: 2

Number of H-Acceptors: 3

RingCount: 3

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi
Chlorocebus sabaeus	Vero	IC50	152050.0	nM	10.1021/np100654m
Homo sapiens	Alpha-ketoglutarate-dependent dioxygenase FTO	IC50	27790.0	nM	10.1021/acs.jmedchem.1c01694
Homo sapiens	HCT-116	Activity	12.1	%	10.1016/j.bmc.2007.05.033
Homo sapiens	HCT-116	Activity	28.0	%	10.1016/j.bmc.2007.05.033
Homo sapiens	HCT-116	Activity	60.0	%	10.1016/j.bmc.2007.05.033
Homo sapiens	HCT-116	IC50	1900.0	nM	10.1016/j.bmc.2007.05.033
Homo sapiens	HeLa	IC50	13300.0	nM	10.1016/j.ejmech.2011.10.047
Homo sapiens	HepG2	Activity	13.1	%	10.1016/j.ejmech.2011.10.047
Homo sapiens	HepG2	Activity	31.1	%	10.1016/j.ejmech.2011.10.047
Homo sapiens	HepG2	Activity	55.9	%	10.1016/j.ejmech.2011.10.047
Homo sapiens	HepG2	Activity	nan	None	10.1016/j.ejmech.2011.10.047
Homo sapiens	HepG2	GI	nan	None	10.1016/j.ejmech.2011.10.047
Homo sapiens	HepG2	IC50	15800.0	nM	10.1016/j.ejmech.2011.10.047
Homo sapiens	KB	IC50	107560.0	nM	10.1021/np100654m
Homo sapiens	MCF7	IC50	600.0	nM	10.1016/j.bmc.2007.05.033
Homo sapiens	MDA-MB-231	IC50	37100.0	nM	10.1016/j.ejmech.2011.10.047
Homo sapiens	NCI-H187	IC50	94590.0	nM	10.1021/np100654m
Homo sapiens	PKC alpha and beta-2	Inhibition	nan	%	10.1016/j.ejmech.2011.10.047
Homo sapiens	Protein kinase C delta	Inhibition	nan	%	10.1016/j.ejmech.2011.10.047
Homo sapiens	Protein kinase C iota type/zeta type	Inhibition	nan	%	10.1016/j.ejmech.2011.10.047
Homo sapiens	Raji	Activity	60.0	%	10.1021/np990285x
Homo sapiens	Raji	Activity	80.0	%	10.1021/np990285x
Homo sapiens	SW48	Activity	12.5	%	10.1016/j.bmc.2007.05.033
Homo sapiens	SW48	Activity	21.9	%	10.1016/j.bmc.2007.05.033
Homo sapiens	SW48	Activity	65.6	%	10.1016/j.bmc.2007.05.033
Homo sapiens	SW48	IC50	21000.0	nM	10.1016/j.bmc.2007.05.033
Homo sapiens	SW480	Activity	17.5	%	10.1016/j.bmc.2007.05.033
Homo sapiens	SW480	Activity	25.7	%	10.1016/j.bmc.2007.05.033
Homo sapiens	SW480	Activity	59.9	%	10.1016/j.bmc.2007.05.033
Homo sapiens	SW480	IC50	4800.0	nM	10.1016/j.bmc.2007.05.033
Homo sapiens	T98G	IC50	71600.0	nM	10.1016/j.ejmech.2011.10.047
Homo sapiens	Transforming protein RhoA	Inhibition	nan	%	10.1016/j.ejmech.2011.10.047
None	ADMET	Activity	nan	None	10.1016/j.ejmech.2011.10.047
None	ADMET	IC50	160000.0	nM	10.1016/j.ejmech.2011.10.047
None	NON-PROTEIN TARGET	IC50	16900.0	nM	10.1016/j.ejmech.2011.10.047
None	NON-PROTEIN TARGET	IC50	35000.0	nM	10.1016/j.bmc.2007.05.033
None	Unchecked	Activity	27.4	%	10.1021/np990285x
None	Unchecked	Activity	42.4	%	10.1021/np990285x
None	Unchecked	Activity	74.6	%	10.1021/np990285x
None	Unchecked	Activity	100.0	%	10.1021/np990285x