NPASS Natural Product

Natural Product: NPC54179

Natural Product ID:	NPC54179
Common Name:	Helioxanthin
IUPAC Name:	10-(1,3-benzodioxol-5-yl)-9H-[2]benzofuro[6,5-g][1,3]benzodioxol-7-one
Synonyms:	Helioxanthin
Molecular Formula:	C20H12O6
Standard InCHIKey:	JUBRYHUFFFYTGR-UHFFFAOYSA-N
Standard InCHI:	InChI=1S/C20H12O6/c21-20-12-5-10-2-4-15-19(26-9-24-15)18(10)17(13(12)7-22-20)11-1-3-14-16(6-11)25-8-23-14/h1-6H,7-9H2
Canonical SMILES:	O=C1OCc2c1cc1ccc3c(c1c2c1ccc2c(c1)OCO2)OCO3
First Find Year:
Max Developmental Stage:
Synthetic Gene Cluster:	;

Species Source

Organism ID	Organism Name	Taxonomy Level	Family	SuperKingdom	Reference
NPO18553.1	Heliopsis helianthoides	Under-species	NA	NA	PMID[25479041]
NPO146	Heliotropium indicum	Species	Heliotropiaceae	Eukaryota	HerDing*
NPO149	Heliotropium europaeum	Species	Heliotropiaceae	Eukaryota	HerDing*
NPO20518	Polygala chinensis	Species	Polygalaceae	Eukaryota	TCM_Taiwan*
NPO20518	Polygala chinensis	Species	Polygalaceae	Eukaryota	HerDing*
NPO24241	Taiwania cryptomerioides	Species	Cupressaceae	Eukaryota	TCM_Taiwan*
NPO24241	Taiwania cryptomerioides	Species	Cupressaceae	Eukaryota	HerDing*
NPO25275	Cynoglossum officinale	Species	Boraginaceae	Eukaryota	HerDing*
NPO3786	Heliotropium arguzioides	Species	Heliotropiaceae	Eukaryota	HerDing*
NPO8188	Hypoestes purpurea	Species	Acanthaceae	Eukaryota	HerDing*
NPO819	Heliotropium olgae	Species	Heliotropiaceae	Eukaryota	HerDing*
NPO8442	Heliotropium curassavicum	Species	Heliotropiaceae	Eukaryota	HerDing*
NPO8500	Eleutherococcus gracilistylus	Species	Araliaceae	Eukaryota	TM-MC*
NPO753	Acanthopanax sessiliflorum	NA	NA	NA	TM-MC*
NPO149	Heliotropium europaeum	Species	Heliotropiaceae	Eukaryota	TCMID*
NPO3786	Heliotropium arguzioides	Species	Heliotropiaceae	Eukaryota	TCMID*
NPO25275	Cynoglossum officinale	Species	Boraginaceae	Eukaryota	TCMID*
NPO8188	Hypoestes purpurea	Species	Acanthaceae	Eukaryota	TCMID*
NPO24241	Taiwania cryptomerioides	Species	Cupressaceae	Eukaryota	TCMID*
NPO146	Heliotropium indicum	Species	Heliotropiaceae	Eukaryota	TCMID*
NPO819	Heliotropium olgae	Species	Heliotropiaceae	Eukaryota	TCMID*
NPO20518	Polygala chinensis	Species	Polygalaceae	Eukaryota	TCMID*
NPO8442	Heliotropium curassavicum	Species	Heliotropiaceae	Eukaryota	TCMID*

Biological Activity

Activity Type	# Activity
EC50	10
Others	8

Activity Type	# Activity
Cell Line	2
Organism	12
Others	4

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT963	Organism	Hepatitis B virus	Hepatitis B virus	EC50	>	1000	nM	15658867
NPT404	Cell Line	CCRF-CEM	Homo sapiens	ID50	=	0.03	nM	15658867
NPT191	Organism	Hepatitis C virus	Hepatitis C virus	EC50	>	3000	nM	15658867
NPT191	Organism	Hepatitis C virus	Hepatitis C virus	Inhibition	=	64	%	15658867
NPT190	Organism	Human herpesvirus 1	Human herpesvirus 1	EC50	=	2000	nM	15658867
NPT1141	Organism	Human herpesvirus 2	Human herpesvirus 2	EC50	=	35000	nM	15658867
NPT164	Organism	Human herpesvirus 4	Human herpesvirus 4	EC50	>	20000	nM	15658867
NPT2	Others	Unspecified		EC50	=	7300	nM	15658867
NPT2	Others	Unspecified		EC50	>	2500	nM	15658867
NPT460	Cell Line	MT2	Homo sapiens	ID50	=	2.5	nM	15658867
NPT176	Organism	Artemia salina	Artemia salina	LC50	>	500	ug/ml	9014350
NPT1381	Organism	Aedes aegypti	Aedes aegypti	LC50	=	3	ug/ml	9014350
NPT963	Organism	Hepatitis B virus	Hepatitis B virus	EC50	=	160	nM	20061158
NPT963	Organism	Hepatitis B virus	Hepatitis B virus	Inhibition	=	30	%	23465436
NPT2	Others	Unspecified		CC50	=	11260	nM	23465436
NPT963	Organism	Hepatitis B virus	Hepatitis B virus	EC50	=	160	nM	23465436
NPT963	Organism	Hepatitis B virus	Hepatitis B virus	EC50	=	1000	nM	24549242
NPT2	Others	Unspecified		Activity	=	15	%	25479041

Similar Natural Products in NPASS

Similarity level is defined by Tanimoto coefficient (Tc) between two molecules. Tc lies between [0, 1] where '1' indicates the highest similarity. What is Tanimoto coefficient

● The left chart: Distribution of similarity level between NPC54179 and all remaining natural products in the NPASS database.
● The right table: Most similar natural products (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	357
0.1-0.2	1347
0.2-0.3	2354
0.3-0.4	5986
0.4-0.5	7229
0.5-0.6	2703
0.6-0.7	7083
0.7-0.8	3637
0.8-0.85	120
0.85-0.9	55
0.9-0.95	15
0.95-1	3

Similarity Score	Similarity Level	Natural Product ID
0.9667	High Similarity	NPC19600
0.9658	High Similarity	NPC24193
0.9589	High Similarity	NPC181464
0.9477	High Similarity	NPC15212
0.947	High Similarity	NPC239113
0.947	High Similarity	NPC115123
0.9416	High Similarity	NPC198796
0.9392	High Similarity	NPC127827
0.9342	High Similarity	NPC473900
0.9333	High Similarity	NPC118332
0.9286	High Similarity	NPC78944
0.9221	High Similarity	NPC474043
0.92	High Similarity	NPC475722
0.9167	High Similarity	NPC116838
0.9167	High Similarity	NPC22130
0.915	High Similarity	NPC234730
0.9091	High Similarity	NPC109765
0.9032	High Similarity	NPC202495
0.8994	High Similarity	NPC471923
0.8974	High Similarity	NPC125713
0.8951	High Similarity	NPC184624
0.8938	High Similarity	NPC473531
0.8938	High Similarity	NPC475453
0.8917	High Similarity	NPC65784
0.8875	High Similarity	NPC174734
0.8875	High Similarity	NPC474042
0.8851	High Similarity	NPC246474
0.8851	High Similarity	NPC162851
0.8851	High Similarity	NPC218092
0.8824	High Similarity	NPC300983
0.8788	High Similarity	NPC35266
0.878	High Similarity	NPC193377
0.8773	High Similarity	NPC474075
0.8773	High Similarity	NPC129930
0.8773	High Similarity	NPC114550
0.8773	High Similarity	NPC471922
0.8773	High Similarity	NPC471921
0.8773	High Similarity	NPC471920
0.8773	High Similarity	NPC312006
0.8773	High Similarity	NPC292712
0.8773	High Similarity	NPC473697
0.8773	High Similarity	NPC20114
0.8765	High Similarity	NPC117911
0.8742	High Similarity	NPC191352
0.8742	High Similarity	NPC258322
0.8726	High Similarity	NPC261484
0.8688	High Similarity	NPC19948
0.8671	High Similarity	NPC143328
0.8671	High Similarity	NPC82733
0.8671	High Similarity	NPC76458
0.8636	High Similarity	NPC177476
0.8636	High Similarity	NPC262455
0.8616	High Similarity	NPC15764
0.8614	High Similarity	NPC196771
0.8581	High Similarity	NPC230968
0.8581	High Similarity	NPC102260
0.8581	High Similarity	NPC261322
0.8581	High Similarity	NPC149505
0.858	High Similarity	NPC114120
0.858	High Similarity	NPC167045
0.8562	High Similarity	NPC139876
0.8512	High Similarity	NPC275690
0.8512	High Similarity	NPC161609
0.8509	High Similarity	NPC296540
0.8509	High Similarity	NPC319749
0.8509	High Similarity	NPC209411
0.8509	High Similarity	NPC239890
0.8509	High Similarity	NPC309335
0.8506	High Similarity	NPC304687
0.8506	High Similarity	NPC80230
0.8506	High Similarity	NPC104024
0.8506	High Similarity	NPC101755
0.8506	High Similarity	NPC65574
0.8497	Intermediate Similarity	NPC229787
0.8491	Intermediate Similarity	NPC261090
0.8487	Intermediate Similarity	NPC86455
0.8487	Intermediate Similarity	NPC137920
0.8487	Intermediate Similarity	NPC125134
0.848	Intermediate Similarity	NPC286301
0.848	Intermediate Similarity	NPC313063
0.8476	Intermediate Similarity	NPC79322
0.8471	Intermediate Similarity	NPC104353
0.8457	Intermediate Similarity	NPC280778
0.8447	Intermediate Similarity	NPC470637
0.8447	Intermediate Similarity	NPC96593
0.8446	Intermediate Similarity	NPC19890
0.8446	Intermediate Similarity	NPC110958
0.8438	Intermediate Similarity	NPC167098
0.8438	Intermediate Similarity	NPC296044
0.8428	Intermediate Similarity	NPC3273
0.8428	Intermediate Similarity	NPC254163
0.8408	Intermediate Similarity	NPC13985
0.8408	Intermediate Similarity	NPC210642
0.8395	Intermediate Similarity	NPC109238
0.8395	Intermediate Similarity	NPC288149
0.8385	Intermediate Similarity	NPC68619
0.8375	Intermediate Similarity	NPC301897
0.8373	Intermediate Similarity	NPC52598
0.8365	Intermediate Similarity	NPC178195
0.8365	Intermediate Similarity	NPC348849
0.8365	Intermediate Similarity	NPC273578
0.8354	Intermediate Similarity	NPC477884
0.8354	Intermediate Similarity	NPC474301
0.8344	Intermediate Similarity	NPC61141
0.8333	Intermediate Similarity	NPC262804
0.8333	Intermediate Similarity	NPC474770
0.8333	Intermediate Similarity	NPC40654
0.8323	Intermediate Similarity	NPC193779
0.8313	Intermediate Similarity	NPC472835
0.8312	Intermediate Similarity	NPC177644
0.8312	Intermediate Similarity	NPC191158
0.8303	Intermediate Similarity	NPC83049
0.8303	Intermediate Similarity	NPC118162
0.8303	Intermediate Similarity	NPC320471
0.8302	Intermediate Similarity	NPC308555
0.8282	Intermediate Similarity	NPC99968
0.8272	Intermediate Similarity	NPC325122
0.8269	Intermediate Similarity	NPC153620
0.8269	Intermediate Similarity	NPC24257
0.8258	Intermediate Similarity	NPC471305
0.8255	Intermediate Similarity	NPC205915
0.8253	Intermediate Similarity	NPC311912
0.8228	Intermediate Similarity	NPC474305
0.8228	Intermediate Similarity	NPC37220
0.8221	Intermediate Similarity	NPC218471
0.8221	Intermediate Similarity	NPC239818
0.821	Intermediate Similarity	NPC115281
0.821	Intermediate Similarity	NPC207584
0.821	Intermediate Similarity	NPC19947
0.821	Intermediate Similarity	NPC163527
0.821	Intermediate Similarity	NPC181168
0.8205	Intermediate Similarity	NPC3982
0.8204	Intermediate Similarity	NPC88557
0.8194	Intermediate Similarity	NPC92693
0.8194	Intermediate Similarity	NPC474036
0.8194	Intermediate Similarity	NPC218841
0.8194	Intermediate Similarity	NPC475000
0.8187	Intermediate Similarity	NPC137125
0.8182	Intermediate Similarity	NPC176586
0.8182	Intermediate Similarity	NPC210354
0.8176	Intermediate Similarity	NPC303519
0.8166	Intermediate Similarity	NPC72455
0.8165	Intermediate Similarity	NPC475848
0.8165	Intermediate Similarity	NPC474306
0.8158	Intermediate Similarity	NPC14022
0.8153	Intermediate Similarity	NPC39361
0.8148	Intermediate Similarity	NPC237946
0.8148	Intermediate Similarity	NPC32373
0.8144	Intermediate Similarity	NPC167479
0.8141	Intermediate Similarity	NPC472836
0.8141	Intermediate Similarity	NPC308006
0.8137	Intermediate Similarity	NPC103197
0.8137	Intermediate Similarity	NPC30009
0.8125	Intermediate Similarity	NPC220577
0.8125	Intermediate Similarity	NPC70320
0.8105	Intermediate Similarity	NPC233780
0.8095	Intermediate Similarity	NPC41853
0.8075	Intermediate Similarity	NPC3744
0.8075	Intermediate Similarity	NPC477377
0.8065	Intermediate Similarity	NPC40237
0.8065	Intermediate Similarity	NPC151423
0.8061	Intermediate Similarity	NPC131905
0.8059	Intermediate Similarity	NPC316539
0.8059	Intermediate Similarity	NPC477881
0.8052	Intermediate Similarity	NPC223336
0.805	Intermediate Similarity	NPC85141
0.805	Intermediate Similarity	NPC472839
0.8047	Intermediate Similarity	NPC135370
0.8037	Intermediate Similarity	NPC477380
0.8035	Intermediate Similarity	NPC208797
0.8035	Intermediate Similarity	NPC53680
0.8026	Intermediate Similarity	NPC474139
0.8026	Intermediate Similarity	NPC89504
0.8026	Intermediate Similarity	NPC88065
0.8026	Intermediate Similarity	NPC95485
0.8025	Intermediate Similarity	NPC91694
0.8025	Intermediate Similarity	NPC474158
0.8025	Intermediate Similarity	NPC300603
0.8024	Intermediate Similarity	NPC41689
0.8012	Intermediate Similarity	NPC477378
0.8012	Intermediate Similarity	NPC469472
0.8012	Intermediate Similarity	NPC473201
0.8012	Intermediate Similarity	NPC302783
0.8012	Intermediate Similarity	NPC66804
0.8012	Intermediate Similarity	NPC474414
0.8012	Intermediate Similarity	NPC475229
0.8	Intermediate Similarity	NPC475964
0.8	Intermediate Similarity	NPC91634
0.8	Intermediate Similarity	NPC178737
0.8	Intermediate Similarity	NPC268718
0.8	Intermediate Similarity	NPC150943
0.8	Intermediate Similarity	NPC119910
0.8	Intermediate Similarity	NPC47623
0.7988	Intermediate Similarity	NPC310206
0.7988	Intermediate Similarity	NPC477885
0.7975	Intermediate Similarity	NPC87295
0.7975	Intermediate Similarity	NPC224687
0.7975	Intermediate Similarity	NPC80489
0.7975	Intermediate Similarity	NPC478238
0.7974	Intermediate Similarity	NPC160425

Similar Clinical/Approved Drugs

Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.

● The left chart: Distribution of similarity level between NPC54179 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	364
0.1-0.2	938
0.2-0.3	1448
0.3-0.4	2676
0.4-0.5	2032
0.5-0.6	1098
0.6-0.7	501
0.7-0.8	97
0.8-0.85	7
0.85-0.9	0
0.9-0.95	0
0.95-1	0

Similarity Score	Similarity Level	Drug ID	Developmental Stage
0.8258	Intermediate Similarity	NPD6143	Clinical (unspecified phase)
0.8217	Intermediate Similarity	NPD6980	Clinical (unspecified phase)
0.8148	Intermediate Similarity	NPD4967	Phase 2
0.8148	Intermediate Similarity	NPD4966	Approved
0.8148	Intermediate Similarity	NPD4965	Approved
0.8049	Intermediate Similarity	NPD6234	Discontinued
0.8012	Intermediate Similarity	NPD6232	Discontinued
0.7988	Intermediate Similarity	NPD5844	Phase 1
0.7963	Intermediate Similarity	NPD37	Approved
0.7943	Intermediate Similarity	NPD8397	Clinical (unspecified phase)
0.787	Intermediate Similarity	NPD7473	Discontinued
0.7844	Intermediate Similarity	NPD7199	Phase 2
0.7751	Intermediate Similarity	NPD7184	Clinical (unspecified phase)
0.7719	Intermediate Similarity	NPD7228	Approved
0.7697	Intermediate Similarity	NPD3764	Approved
0.7669	Intermediate Similarity	NPD7458	Discontinued
0.761	Intermediate Similarity	NPD7003	Approved
0.7574	Intermediate Similarity	NPD5494	Approved
0.7571	Intermediate Similarity	NPD8055	Clinical (unspecified phase)
0.7568	Intermediate Similarity	NPD1281	Approved
0.7561	Intermediate Similarity	NPD5808	Clinical (unspecified phase)
0.7561	Intermediate Similarity	NPD3226	Approved
0.7557	Intermediate Similarity	NPD8312	Approved
0.7557	Intermediate Similarity	NPD8313	Approved
0.7548	Intermediate Similarity	NPD1933	Approved
0.7547	Intermediate Similarity	NPD7421	Clinical (unspecified phase)
0.7543	Intermediate Similarity	NPD6559	Discontinued
0.7543	Intermediate Similarity	NPD7240	Approved
0.7532	Intermediate Similarity	NPD2346	Discontinued
0.7516	Intermediate Similarity	NPD3748	Approved
0.7515	Intermediate Similarity	NPD919	Approved
0.7514	Intermediate Similarity	NPD3818	Discontinued
0.75	Intermediate Similarity	NPD4868	Clinical (unspecified phase)
0.7484	Intermediate Similarity	NPD2979	Phase 3
0.7468	Intermediate Similarity	NPD2438	Suspended
0.745	Intermediate Similarity	NPD3705	Approved
0.7417	Intermediate Similarity	NPD1283	Approved
0.7403	Intermediate Similarity	NPD5952	Clinical (unspecified phase)
0.7391	Intermediate Similarity	NPD4628	Phase 3
0.7381	Intermediate Similarity	NPD7819	Suspended
0.7381	Intermediate Similarity	NPD1465	Phase 2
0.7381	Intermediate Similarity	NPD8455	Phase 2
0.7365	Intermediate Similarity	NPD5691	Approved
0.7351	Intermediate Similarity	NPD4420	Approved
0.7318	Intermediate Similarity	NPD7090	Clinical (unspecified phase)
0.7317	Intermediate Similarity	NPD2534	Approved
0.7317	Intermediate Similarity	NPD2533	Approved
0.7317	Intermediate Similarity	NPD2532	Approved
0.7312	Intermediate Similarity	NPD2343	Clinical (unspecified phase)
0.7305	Intermediate Similarity	NPD7028	Phase 2
0.7284	Intermediate Similarity	NPD3750	Approved
0.7273	Intermediate Similarity	NPD6273	Approved
0.7268	Intermediate Similarity	NPD7879	Clinical (unspecified phase)
0.7262	Intermediate Similarity	NPD6385	Approved
0.7262	Intermediate Similarity	NPD6386	Approved
0.7251	Intermediate Similarity	NPD3749	Approved
0.725	Intermediate Similarity	NPD2531	Phase 2
0.725	Intermediate Similarity	NPD5408	Approved
0.725	Intermediate Similarity	NPD5405	Approved
0.725	Intermediate Similarity	NPD5406	Approved
0.725	Intermediate Similarity	NPD5404	Approved
0.7248	Intermediate Similarity	NPD1651	Approved
0.7241	Intermediate Similarity	NPD3926	Phase 2
0.7235	Intermediate Similarity	NPD3817	Phase 2
0.7225	Intermediate Similarity	NPD8127	Discontinued
0.7225	Intermediate Similarity	NPD1247	Approved
0.7216	Intermediate Similarity	NPD7177	Discontinued
0.7212	Intermediate Similarity	NPD7004	Clinical (unspecified phase)
0.7196	Intermediate Similarity	NPD5006	Approved
0.7196	Intermediate Similarity	NPD5005	Approved
0.7193	Intermediate Similarity	NPD3882	Suspended
0.7193	Intermediate Similarity	NPD7768	Phase 2
0.7188	Intermediate Similarity	NPD2799	Discontinued
0.7158	Intermediate Similarity	NPD7680	Approved
0.7151	Intermediate Similarity	NPD7685	Pre-registration
0.7143	Intermediate Similarity	NPD2935	Discontinued
0.7134	Intermediate Similarity	NPD2313	Discontinued
0.7134	Intermediate Similarity	NPD5084	Clinical (unspecified phase)
0.7126	Intermediate Similarity	NPD920	Approved
0.7119	Intermediate Similarity	NPD7893	Clinical (unspecified phase)
0.7118	Intermediate Similarity	NPD1934	Approved
0.7117	Intermediate Similarity	NPD6674	Discontinued
0.7111	Intermediate Similarity	NPD4338	Clinical (unspecified phase)
0.7108	Intermediate Similarity	NPD7422	Clinical (unspecified phase)
0.7108	Intermediate Similarity	NPD642	Clinical (unspecified phase)
0.7101	Intermediate Similarity	NPD6599	Discontinued
0.7091	Intermediate Similarity	NPD643	Clinical (unspecified phase)
0.7086	Intermediate Similarity	NPD4626	Approved
0.7086	Intermediate Similarity	NPD7229	Phase 3
0.7078	Intermediate Similarity	NPD1876	Approved
0.7076	Intermediate Similarity	NPD7096	Clinical (unspecified phase)
0.7076	Intermediate Similarity	NPD2393	Clinical (unspecified phase)
0.7059	Intermediate Similarity	NPD7411	Suspended
0.7059	Intermediate Similarity	NPD6873	Phase 2
0.7045	Intermediate Similarity	NPD5242	Approved
0.7044	Intermediate Similarity	NPD4307	Phase 2
0.7039	Intermediate Similarity	NPD7074	Phase 3
0.7035	Intermediate Similarity	NPD5616	Clinical (unspecified phase)
0.7029	Intermediate Similarity	NPD6959	Discontinued
0.7025	Intermediate Similarity	NPD6798	Discontinued
0.7012	Intermediate Similarity	NPD1243	Approved
0.7	Intermediate Similarity	NPD7993	Clinical (unspecified phase)
0.7	Intermediate Similarity	NPD447	Suspended
0.7	Intermediate Similarity	NPD5536	Phase 2
0.6993	Remote Similarity	NPD1611	Approved
0.6987	Remote Similarity	NPD2798	Approved
0.6983	Remote Similarity	NPD7054	Approved
0.6981	Remote Similarity	NPD8032	Phase 2
0.6977	Remote Similarity	NPD2801	Approved
0.6974	Remote Similarity	NPD17	Approved
0.6974	Remote Similarity	NPD8151	Discontinued
0.697	Remote Similarity	NPD4109	Clinical (unspecified phase)
0.697	Remote Similarity	NPD4110	Phase 3
0.6961	Remote Similarity	NPD7038	Approved
0.6961	Remote Similarity	NPD7039	Approved
0.6954	Remote Similarity	NPD7075	Discontinued
0.6954	Remote Similarity	NPD4381	Clinical (unspecified phase)
0.6951	Remote Similarity	NPD970	Clinical (unspecified phase)
0.6948	Remote Similarity	NPD3972	Approved
0.6947	Remote Similarity	NPD7237	Clinical (unspecified phase)
0.6946	Remote Similarity	NPD6799	Approved
0.6944	Remote Similarity	NPD7472	Approved
0.6937	Remote Similarity	NPD4060	Phase 1
0.6933	Remote Similarity	NPD2796	Approved
0.6933	Remote Similarity	NPD1551	Phase 2
0.6927	Remote Similarity	NPD3751	Discontinued
0.6923	Remote Similarity	NPD1470	Approved
0.6919	Remote Similarity	NPD6801	Discontinued
0.691	Remote Similarity	NPD6166	Phase 2
0.691	Remote Similarity	NPD6167	Clinical (unspecified phase)
0.691	Remote Similarity	NPD7852	Clinical (unspecified phase)
0.691	Remote Similarity	NPD6168	Clinical (unspecified phase)
0.6901	Remote Similarity	NPD4380	Phase 2
0.6899	Remote Similarity	NPD6832	Phase 2
0.6894	Remote Similarity	NPD6355	Discontinued
0.6894	Remote Similarity	NPD1899	Clinical (unspecified phase)
0.6891	Remote Similarity	NPD7435	Discontinued
0.689	Remote Similarity	NPD1471	Phase 3
0.689	Remote Similarity	NPD2344	Approved
0.6883	Remote Similarity	NPD1547	Clinical (unspecified phase)
0.6871	Remote Similarity	NPD1510	Phase 2
0.6871	Remote Similarity	NPD4308	Phase 3
0.6867	Remote Similarity	NPD8166	Discontinued
0.6867	Remote Similarity	NPD1878	Clinical (unspecified phase)
0.6846	Remote Similarity	NPD5283	Phase 1
0.6845	Remote Similarity	NPD1511	Approved
0.6839	Remote Similarity	NPD5402	Approved
0.6839	Remote Similarity	NPD5978	Approved
0.6839	Remote Similarity	NPD1608	Approved
0.6839	Remote Similarity	NPD5977	Approved
0.6835	Remote Similarity	NPD9494	Approved
0.6831	Remote Similarity	NPD7808	Phase 3
0.6829	Remote Similarity	NPD4476	Approved
0.6829	Remote Similarity	NPD4477	Approved
0.6826	Remote Similarity	NPD6190	Approved
0.6823	Remote Similarity	NPD6782	Approved
0.6823	Remote Similarity	NPD6777	Approved
0.6823	Remote Similarity	NPD6781	Approved
0.6823	Remote Similarity	NPD6780	Approved
0.6823	Remote Similarity	NPD6778	Approved
0.6823	Remote Similarity	NPD6779	Approved
0.6823	Remote Similarity	NPD6776	Approved
0.6821	Remote Similarity	NPD7999	Approved
0.6818	Remote Similarity	NPD7783	Phase 2
0.6818	Remote Similarity	NPD7782	Clinical (unspecified phase)
0.6813	Remote Similarity	NPD6797	Phase 2
0.6805	Remote Similarity	NPD5401	Approved
0.6798	Remote Similarity	NPD3787	Discontinued
0.6798	Remote Similarity	NPD5710	Approved
0.6798	Remote Similarity	NPD5711	Approved
0.679	Remote Similarity	NPD230	Phase 1
0.6788	Remote Similarity	NPD7266	Discontinued
0.6784	Remote Similarity	NPD1653	Approved
0.6776	Remote Similarity	NPD7251	Discontinued
0.6774	Remote Similarity	NPD1201	Approved
0.6769	Remote Similarity	NPD7870	Phase 2
0.6769	Remote Similarity	NPD7871	Phase 2
0.6768	Remote Similarity	NPD1509	Clinical (unspecified phase)
0.6766	Remote Similarity	NPD6398	Clinical (unspecified phase)
0.6765	Remote Similarity	NPD1512	Approved
0.6753	Remote Similarity	NPD6823	Phase 2
0.6748	Remote Similarity	NPD1607	Approved
0.6747	Remote Similarity	NPD1549	Phase 2
0.6747	Remote Similarity	NPD2897	Discontinued
0.6743	Remote Similarity	NPD4288	Approved
0.6743	Remote Similarity	NPD8443	Clinical (unspecified phase)
0.6743	Remote Similarity	NPD5353	Approved
0.6736	Remote Similarity	NPD4107	Approved
0.6726	Remote Similarity	NPD2309	Approved
0.6725	Remote Similarity	NPD5403	Approved
0.6725	Remote Similarity	NPD7427	Discontinued
0.6718	Remote Similarity	NPD7696	Phase 3
0.6718	Remote Similarity	NPD7698	Approved
0.6718	Remote Similarity	NPD7697	Approved
0.6709	Remote Similarity	NPD3267	Approved
0.6709	Remote Similarity	NPD3266	Approved
0.6708	Remote Similarity	NPD1699	Clinical (unspecified phase)
0.6708	Remote Similarity	NPD6859	Clinical (unspecified phase)
0.6706	Remote Similarity	NPD7410	Clinical (unspecified phase)
0.6706	Remote Similarity	NPD4378	Clinical (unspecified phase)

Structure

CID54179 OpenBabel06191715392D 26 31 0 0 0 0 0 0 0 0999 V2000 -2.9345 0.0827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2024 4.0827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8005 -0.4173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0685 4.5827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3364 2.5827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8005 1.5827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9945 0.1045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2054 0.5827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4733 3.5827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2024 3.0827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9345 1.0827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3364 1.5827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2024 1.0827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6665 0.0827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9345 4.0827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6665 1.0827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0685 1.5827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0685 2.5827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9345 3.0827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4067 0.9135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3849 1.1215 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6176 -0.2263 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8855 4.3917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6176 1.3917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8855 2.7737 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 3 2 0 0 0 0 1 11 1 0 0 0 0 2 4 2 0 0 0 0 2 10 1 0 0 0 0 3 14 1 0 0 0 0 4 15 1 0 0 0 0 5 10 2 0 0 0 0 5 12 1 0 0 0 0 6 11 2 0 0 0 0 6 16 1 0 0 0 0 7 13 1 0 0 0 0 7 22 1 0 0 0 0 8 23 1 0 0 0 0 8 25 1 0 0 0 0 9 24 1 0 0 0 0 9 26 1 0 0 0 0 10 18 1 0 0 0 0 11 17 1 0 0 0 0 12 13 2 0 0 0 0 12 20 1 0 0 0 0 13 17 1 0 0 0 0 14 16 2 0 0 0 0 14 23 1 0 0 0 0 15 19 2 0 0 0 0 15 24 1 0 0 0 0 16 25 1 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 19 26 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 M END $$$$

External Identifiers

PubChem CID	177023
ChEMBL	CHEMBL436474
ZINC

Physicochemical Properties

Molecular Weight:	348.06
ALogP:	-0.6849
MLogP:	3
XLogP:	2.907
# Rotatable Bonds:	1
Polar Surface Area:	63.22
# H-Bond Aceptor:	2
# H-Bond Donor:	0
# Rings:	6
# Heavy Atoms:	26

Download Data

Data Type	Select
General Info & Identifiers & Properties
Structure MOL file
Source Organisms
Biological Activities
Similar NPs/Drugs