Drug Details

Name:

ROTTLERIN

PubChem ID:

5103

Pathway:

Show KEGG pathways

InChI:

InChI=1/C30H28O8/c1-15-24(33)19(27(36)22(16(2)31)25(15)34)14-20-26(35)18-12-13-30(3,4)38-29(18)23(28(20)37)21(32)11-10-17-8-6-5-7-9-17/h5-13,33-37H,14H2,1-4H3/b11-10+

SMILES:

Cc1c(c(Cc2c(c3C=CC(C)(C)Oc3c(C(C(=C(/[H])c3ccccc3)\[H])=O)c2O)O)c(c(C(C)=O)c1O)O)O

Properties:

Formula:	C30H28O8	Atoms:	40
Molecular Weight:	516.539	Rotatable Bonds:	6
H-bond Acceptors:	8	H-bond Donors:	0
logP:	5.3967

Targets:

Name	Uniprot ID	Source	References	Interaction
Adenomatous polyposis coli protein	APC_HUMAN	PROMISCUOUS	PMID 17236547	shows
Adenomatous polyposis coli protein	Q5EBR8_HUMAN	PROMISCUOUS	PMID 17236547	shows
Adenomatous polyposis coli protein	Q5EBR9_HUMAN	PROMISCUOUS	PMID 17236547	shows
Adenomatous polyposis coli protein	Q9HAW6_HUMAN	PROMISCUOUS	PMID 17236547	shows
Caspase	ICE_DROME	PROMISCUOUS	PMID 12373288	shows
DNA (cytosine-5)-methyltransferase 1	DNMT1_HUMAN	PROMISCUOUS	PMID 17236547	shows
DNA (cytosine-5)-methyltransferase 3A	DNM3A_HUMAN	PROMISCUOUS	PMID 17236547	shows
DNA (cytosine-5)-methyltransferase 3B	DNM3B_HUMAN	PROMISCUOUS	PMID 17236547	shows
Dual oxidase 1	DUOX1_HUMAN	PROMISCUOUS	PMID 15494525	shows
Dual oxidase 2	DUOX2_HUMAN	PROMISCUOUS	PMID 15494525	shows
Nitric oxide synthase	Q9XSY2_SHEEP	PROMISCUOUS	PMID 18192589	shows
Nitric oxide synthase, brain	NOS1_SHEEP	PROMISCUOUS	PMID 18192589	shows
Nitric oxide synthase, endothelial	NOS3_SHEEP	PROMISCUOUS	PMID 18192589	shows
Protein kinase c	B8LXH5_TALSN	PROMISCUOUS	PMID 11313407	shows
Protein kinase C	KPC1_LYTPI	PROMISCUOUS	PMID 11313407	shows
Protein kinase C	KPC3_DROME	PROMISCUOUS	PMID 11313407	shows
T-lymphocyte activation antigen CD86	CD86_HUMAN	PROMISCUOUS	PMID 14636897	shows
Thrombin	THRB_SALSA	PROMISCUOUS	PMID 18342628	shows

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Synonyms:

1-[6-[(3-Acetyl-2,4,6-trihydroxy-5-methylphenyl)methyl]-5,7-dihydroxy-2,2-

AC1L1JM9

Bio1_000331

Bio1_000820

Bio1_001309

Bio2_000380

Bio2_000860

CBiol_002045

CID5103

KBio2_000420

KBio2_002988

KBio2_005556

KBio3_000799

KBio3_000800

KBioGR_000420

KBioSS_000420

NCI60_042104

NSC56346

NSC94525

ROTTLERIN

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