NPASS Natural Product

Natural Product: NPC478110

Natural Product ID:	NPC478110
Common Name:	n.a.
IUPAC Name:
Synonyms:
Molecular Formula:	C11H14O5
Standard InCHIKey:	ZMFMHHDPSXFPHY-IKKULVOHSA-N
Standard InCHI:	InChI=1S/C11H14O5/c1-5-3-4-6(12)7-11(5)8(13)10(2,15-7)16-9(11)14/h3-8,12-13H,1-2H3/t5-,6+,7-,8-,10+,11+/m1/s1
Canonical SMILES:	O[C@H]1C=C[C@H]([C@@]23[C@@H]1O[C@@]([C@H]3O)(C)OC2=O)C
First Find Year:
Max Developmental Stage:
Synthetic Gene Cluster:	;

Species Source

Organism ID	Organism Name	Taxonomy Level	Family	SuperKingdom	Isolation Part	Collection Location	Collection Time	Reference
NPO22918	Trichocladium opacum	Species	Melanommataceae	Eukaryota				PMID[24354429]

Biological Activity

Activity Type	# Activity
IC50	3

Activity Type	# Activity
Cell Line	3

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT393	Cell Line	HCT-116	Homo sapiens	IC50	=	48800	nM	24354429
NPT660	Cell Line	SW480	Homo sapiens	IC50	=	54900	nM	24354429
NPT81	Cell Line	A549	Homo sapiens	IC50	=	83600	nM	24354429

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 NPC478110 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	107
0.1-0.2	741
0.2-0.3	3432
0.3-0.4	8509
0.4-0.5	9159
0.5-0.6	5527
0.6-0.7	3250
0.7-0.8	161
0.8-0.85	0
0.85-0.9	2
0.9-0.95	1
0.95-1	0

Similarity Score	Similarity Level	Natural Product ID
0.9167	High Similarity	NPC32676
0.8953	High Similarity	NPC278283
0.8953	High Similarity	NPC478112
0.7935	Intermediate Similarity	NPC119740
0.7935	Intermediate Similarity	NPC150063
0.7935	Intermediate Similarity	NPC137368
0.7872	Intermediate Similarity	NPC9447
0.7723	Intermediate Similarity	NPC220964
0.7723	Intermediate Similarity	NPC474917
0.7723	Intermediate Similarity	NPC475676
0.7684	Intermediate Similarity	NPC472199
0.7624	Intermediate Similarity	NPC4620
0.7582	Intermediate Similarity	NPC52923
0.7528	Intermediate Similarity	NPC475210
0.7526	Intermediate Similarity	NPC472198
0.75	Intermediate Similarity	NPC474278
0.75	Intermediate Similarity	NPC472197
0.75	Intermediate Similarity	NPC475960
0.75	Intermediate Similarity	NPC233379
0.75	Intermediate Similarity	NPC14862
0.75	Intermediate Similarity	NPC474664
0.75	Intermediate Similarity	NPC212363
0.7475	Intermediate Similarity	NPC474194
0.7451	Intermediate Similarity	NPC69171
0.7451	Intermediate Similarity	NPC474165
0.7429	Intermediate Similarity	NPC15218
0.7404	Intermediate Similarity	NPC326994
0.7404	Intermediate Similarity	NPC324327
0.7404	Intermediate Similarity	NPC72813
0.7404	Intermediate Similarity	NPC474421
0.7404	Intermediate Similarity	NPC194620
0.74	Intermediate Similarity	NPC187268
0.7396	Intermediate Similarity	NPC15059
0.7396	Intermediate Similarity	NPC473455
0.7379	Intermediate Similarity	NPC296950
0.7379	Intermediate Similarity	NPC203659
0.7374	Intermediate Similarity	NPC306041
0.7374	Intermediate Similarity	NPC54731
0.7358	Intermediate Similarity	NPC235014
0.7356	Intermediate Similarity	NPC474280
0.7353	Intermediate Similarity	NPC183571
0.7347	Intermediate Similarity	NPC25701
0.7347	Intermediate Similarity	NPC2003
0.7333	Intermediate Similarity	NPC169888
0.7333	Intermediate Similarity	NPC55972
0.7333	Intermediate Similarity	NPC327286
0.7315	Intermediate Similarity	NPC474410
0.7315	Intermediate Similarity	NPC293658
0.7308	Intermediate Similarity	NPC16313
0.7308	Intermediate Similarity	NPC9303
0.7308	Intermediate Similarity	NPC475802
0.73	Intermediate Similarity	NPC266842
0.7292	Intermediate Similarity	NPC87306
0.7292	Intermediate Similarity	NPC473564
0.7283	Intermediate Similarity	NPC310450
0.7283	Intermediate Similarity	NPC474252
0.7283	Intermediate Similarity	NPC475046
0.7283	Intermediate Similarity	NPC474959
0.7283	Intermediate Similarity	NPC11383
0.7282	Intermediate Similarity	NPC110989
0.7263	Intermediate Similarity	NPC316629
0.7248	Intermediate Similarity	NPC117712
0.7245	Intermediate Similarity	NPC156553
0.7234	Intermediate Similarity	NPC477747
0.7234	Intermediate Similarity	NPC477746
0.7228	Intermediate Similarity	NPC81483
0.7228	Intermediate Similarity	NPC169468
0.7228	Intermediate Similarity	NPC61630
0.7228	Intermediate Similarity	NPC307517
0.7216	Intermediate Similarity	NPC474232
0.7212	Intermediate Similarity	NPC146731
0.7212	Intermediate Similarity	NPC258532
0.7204	Intermediate Similarity	NPC286770
0.7204	Intermediate Similarity	NPC284472
0.7204	Intermediate Similarity	NPC229799
0.72	Intermediate Similarity	NPC477921
0.72	Intermediate Similarity	NPC256230
0.7196	Intermediate Similarity	NPC161816
0.7196	Intermediate Similarity	NPC46407
0.7196	Intermediate Similarity	NPC115257
0.7188	Intermediate Similarity	NPC476803
0.7188	Intermediate Similarity	NPC473715
0.7184	Intermediate Similarity	NPC261117
0.7184	Intermediate Similarity	NPC310804
0.7184	Intermediate Similarity	NPC250545
0.7184	Intermediate Similarity	NPC225353
0.7182	Intermediate Similarity	NPC277583
0.717	Intermediate Similarity	NPC48548
0.717	Intermediate Similarity	NPC128795
0.717	Intermediate Similarity	NPC217921
0.717	Intermediate Similarity	NPC135015
0.7158	Intermediate Similarity	NPC469910
0.7157	Intermediate Similarity	NPC469402
0.7156	Intermediate Similarity	NPC264153
0.7143	Intermediate Similarity	NPC99651
0.7143	Intermediate Similarity	NPC321728
0.7143	Intermediate Similarity	NPC473321
0.7129	Intermediate Similarity	NPC471462
0.7129	Intermediate Similarity	NPC472290
0.7128	Intermediate Similarity	NPC219966
0.7103	Intermediate Similarity	NPC472534
0.7103	Intermediate Similarity	NPC475922
0.7103	Intermediate Similarity	NPC313668
0.7103	Intermediate Similarity	NPC40728
0.7103	Intermediate Similarity	NPC316974
0.7103	Intermediate Similarity	NPC143706
0.7103	Intermediate Similarity	NPC315836
0.71	Intermediate Similarity	NPC286612
0.71	Intermediate Similarity	NPC477922
0.71	Intermediate Similarity	NPC275310
0.71	Intermediate Similarity	NPC471142
0.71	Intermediate Similarity	NPC214694
0.71	Intermediate Similarity	NPC230347
0.7087	Intermediate Similarity	NPC28304
0.7087	Intermediate Similarity	NPC298255
0.7087	Intermediate Similarity	NPC154127
0.7083	Intermediate Similarity	NPC473248
0.7083	Intermediate Similarity	NPC475037
0.7075	Intermediate Similarity	NPC474285
0.7075	Intermediate Similarity	NPC293512
0.7075	Intermediate Similarity	NPC125423
0.7075	Intermediate Similarity	NPC254538
0.7075	Intermediate Similarity	NPC88013
0.7071	Intermediate Similarity	NPC179746
0.7071	Intermediate Similarity	NPC61201
0.7071	Intermediate Similarity	NPC81419
0.7071	Intermediate Similarity	NPC475912
0.7059	Intermediate Similarity	NPC203627
0.7059	Intermediate Similarity	NPC281608
0.7059	Intermediate Similarity	NPC40182
0.7059	Intermediate Similarity	NPC198422
0.7059	Intermediate Similarity	NPC475284
0.7053	Intermediate Similarity	NPC21469
0.7053	Intermediate Similarity	NPC471156
0.7048	Intermediate Similarity	NPC305157
0.7048	Intermediate Similarity	NPC307846
0.7048	Intermediate Similarity	NPC86095
0.7041	Intermediate Similarity	NPC313670
0.7041	Intermediate Similarity	NPC473619
0.7037	Intermediate Similarity	NPC119550
0.7037	Intermediate Similarity	NPC5103
0.7033	Intermediate Similarity	NPC11796
0.7033	Intermediate Similarity	NPC218817
0.703	Intermediate Similarity	NPC241911
0.703	Intermediate Similarity	NPC474297
0.7021	Intermediate Similarity	NPC69469
0.7019	Intermediate Similarity	NPC13171
0.7019	Intermediate Similarity	NPC238397
0.7019	Intermediate Similarity	NPC471363
0.7019	Intermediate Similarity	NPC195510
0.7019	Intermediate Similarity	NPC86077
0.701	Intermediate Similarity	NPC471756
0.701	Intermediate Similarity	NPC471755
0.701	Intermediate Similarity	NPC153570
0.701	Intermediate Similarity	NPC309656
0.7009	Intermediate Similarity	NPC311223
0.7009	Intermediate Similarity	NPC10150
0.7	Intermediate Similarity	NPC474197
0.7	Intermediate Similarity	NPC474338
0.7	Intermediate Similarity	NPC256368
0.7	Intermediate Similarity	NPC326661
0.7	Intermediate Similarity	NPC475927
0.7	Intermediate Similarity	NPC475832
0.7	Intermediate Similarity	NPC294293
0.699	Remote Similarity	NPC324667
0.699	Remote Similarity	NPC473146
0.699	Remote Similarity	NPC306344
0.699	Remote Similarity	NPC255677
0.699	Remote Similarity	NPC22149
0.6989	Remote Similarity	NPC52861
0.6989	Remote Similarity	NPC297440
0.6989	Remote Similarity	NPC474980
0.6981	Remote Similarity	NPC476740
0.6981	Remote Similarity	NPC127609
0.6981	Remote Similarity	NPC252296
0.6981	Remote Similarity	NPC478038
0.6981	Remote Similarity	NPC239961
0.6981	Remote Similarity	NPC472751
0.6981	Remote Similarity	NPC476738
0.6981	Remote Similarity	NPC472749
0.6972	Remote Similarity	NPC474750
0.697	Remote Similarity	NPC12172
0.697	Remote Similarity	NPC208839
0.697	Remote Similarity	NPC230623
0.697	Remote Similarity	NPC477749
0.697	Remote Similarity	NPC208886
0.6961	Remote Similarity	NPC476613
0.6961	Remote Similarity	NPC98112
0.6961	Remote Similarity	NPC205143
0.6961	Remote Similarity	NPC218064
0.6961	Remote Similarity	NPC134454
0.6961	Remote Similarity	NPC476612
0.6961	Remote Similarity	NPC40812
0.6961	Remote Similarity	NPC17326
0.6952	Remote Similarity	NPC475871
0.6952	Remote Similarity	NPC134270
0.6952	Remote Similarity	NPC7644
0.6952	Remote Similarity	NPC475945
0.6952	Remote Similarity	NPC7613
0.6952	Remote Similarity	NPC309398

Similar Clinical/Approved Drugs

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

● The left chart: Distribution of similarity level between NPC478110 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	122
0.1-0.2	1512
0.2-0.3	4031
0.3-0.4	2393
0.4-0.5	755
0.5-0.6	266
0.6-0.7	78
0.7-0.8	4
0.8-0.85	0
0.85-0.9	0
0.9-0.95	0
0.95-1	0

Similarity Score	Similarity Level	Drug ID	Developmental Stage
0.734	Intermediate Similarity	NPD4249	Approved
0.7263	Intermediate Similarity	NPD4251	Approved
0.7263	Intermediate Similarity	NPD4250	Approved
0.7143	Intermediate Similarity	NPD7983	Approved
0.697	Remote Similarity	NPD7637	Suspended
0.6893	Remote Similarity	NPD4225	Approved
0.6882	Remote Similarity	NPD5790	Clinical (unspecified phase)
0.687	Remote Similarity	NPD8516	Approved
0.687	Remote Similarity	NPD8517	Approved
0.687	Remote Similarity	NPD8515	Approved
0.687	Remote Similarity	NPD8513	Phase 3
0.6818	Remote Similarity	NPD8413	Clinical (unspecified phase)
0.6765	Remote Similarity	NPD1698	Clinical (unspecified phase)
0.6733	Remote Similarity	NPD5778	Approved
0.6733	Remote Similarity	NPD5779	Approved
0.6731	Remote Similarity	NPD8029	Clinical (unspecified phase)
0.6727	Remote Similarity	NPD6371	Approved
0.6702	Remote Similarity	NPD4252	Approved
0.67	Remote Similarity	NPD6698	Approved
0.67	Remote Similarity	NPD46	Approved
0.6697	Remote Similarity	NPD6686	Approved
0.6667	Remote Similarity	NPD5282	Discontinued
0.6667	Remote Similarity	NPD4271	Approved
0.6667	Remote Similarity	NPD4268	Approved
0.6606	Remote Similarity	NPD7899	Clinical (unspecified phase)
0.6583	Remote Similarity	NPD8074	Phase 3
0.6562	Remote Similarity	NPD4270	Approved
0.6562	Remote Similarity	NPD4269	Approved
0.6538	Remote Similarity	NPD7839	Suspended
0.6535	Remote Similarity	NPD5785	Approved
0.6526	Remote Similarity	NPD4822	Approved
0.6526	Remote Similarity	NPD4819	Approved
0.6526	Remote Similarity	NPD4821	Approved
0.6526	Remote Similarity	NPD4820	Approved
0.6495	Remote Similarity	NPD6110	Phase 1
0.6489	Remote Similarity	NPD5784	Clinical (unspecified phase)
0.6465	Remote Similarity	NPD5786	Approved
0.6373	Remote Similarity	NPD7838	Discovery
0.6364	Remote Similarity	NPD5363	Approved
0.6327	Remote Similarity	NPD7154	Phase 3
0.6327	Remote Similarity	NPD5362	Discontinued
0.6311	Remote Similarity	NPD6411	Approved
0.6306	Remote Similarity	NPD6412	Phase 2
0.6289	Remote Similarity	NPD5369	Approved
0.6281	Remote Similarity	NPD7492	Approved
0.6263	Remote Similarity	NPD6400	Clinical (unspecified phase)
0.6239	Remote Similarity	NPD7115	Discovery
0.623	Remote Similarity	NPD6616	Approved
0.6218	Remote Similarity	NPD6054	Approved
0.6179	Remote Similarity	NPD7078	Approved
0.6167	Remote Similarity	NPD6015	Approved
0.6167	Remote Similarity	NPD6016	Approved
0.6162	Remote Similarity	NPD5331	Approved
0.6162	Remote Similarity	NPD5332	Approved
0.6154	Remote Similarity	NPD4810	Clinical (unspecified phase)
0.6148	Remote Similarity	NPD8340	Approved
0.6148	Remote Similarity	NPD8342	Approved
0.6148	Remote Similarity	NPD8341	Approved
0.6148	Remote Similarity	NPD8299	Approved
0.6147	Remote Similarity	NPD5344	Discontinued
0.614	Remote Similarity	NPD6421	Discontinued
0.6129	Remote Similarity	NPD7736	Approved
0.6122	Remote Similarity	NPD4790	Discontinued
0.6117	Remote Similarity	NPD5370	Suspended
0.6117	Remote Similarity	NPD5764	Clinical (unspecified phase)
0.6117	Remote Similarity	NPD6101	Approved
0.6116	Remote Similarity	NPD6370	Approved
0.6116	Remote Similarity	NPD5988	Approved
0.6102	Remote Similarity	NPD8295	Clinical (unspecified phase)
0.6087	Remote Similarity	NPD2204	Approved
0.6083	Remote Similarity	NPD6059	Approved
0.608	Remote Similarity	NPD7319	Approved
0.6066	Remote Similarity	NPD8328	Phase 3
0.6061	Remote Similarity	NPD6435	Approved
0.6061	Remote Similarity	NPD5209	Approved
0.6055	Remote Similarity	NPD7640	Approved
0.6055	Remote Similarity	NPD7639	Approved
0.6053	Remote Similarity	NPD8132	Clinical (unspecified phase)
0.6048	Remote Similarity	NPD8293	Discontinued
0.604	Remote Similarity	NPD6082	Clinical (unspecified phase)
0.604	Remote Similarity	NPD1733	Clinical (unspecified phase)
0.6033	Remote Similarity	NPD8444	Approved
0.5968	Remote Similarity	NPD8451	Approved
0.5968	Remote Similarity	NPD7507	Approved
0.5965	Remote Similarity	NPD5345	Clinical (unspecified phase)
0.5963	Remote Similarity	NPD7638	Approved
0.5962	Remote Similarity	NPD1695	Approved
0.595	Remote Similarity	NPD6319	Approved
0.5943	Remote Similarity	NPD6399	Phase 3
0.5935	Remote Similarity	NPD7642	Approved
0.5935	Remote Similarity	NPD7829	Approved
0.5935	Remote Similarity	NPD7830	Approved
0.5934	Remote Similarity	NPD4247	Clinical (unspecified phase)
0.5922	Remote Similarity	NPD7524	Approved
0.592	Remote Similarity	NPD8448	Approved
0.5917	Remote Similarity	NPD7328	Approved
0.5917	Remote Similarity	NPD7327	Approved
0.5913	Remote Similarity	NPD4061	Clinical (unspecified phase)
0.5902	Remote Similarity	NPD7503	Approved
0.5902	Remote Similarity	NPD8033	Approved
0.5882	Remote Similarity	NPD1694	Approved
0.5868	Remote Similarity	NPD7516	Approved
0.5859	Remote Similarity	NPD5368	Approved
0.5833	Remote Similarity	NPD6009	Approved
0.582	Remote Similarity	NPD8294	Approved
0.582	Remote Similarity	NPD8377	Approved
0.5795	Remote Similarity	NPD4246	Clinical (unspecified phase)
0.5785	Remote Similarity	NPD7641	Discontinued
0.5784	Remote Similarity	NPD7338	Clinical (unspecified phase)
0.5781	Remote Similarity	NPD5956	Approved
0.5781	Remote Similarity	NPD8390	Approved
0.5781	Remote Similarity	NPD8391	Approved
0.5781	Remote Similarity	NPD8392	Approved
0.578	Remote Similarity	NPD4792	Clinical (unspecified phase)
0.5772	Remote Similarity	NPD8380	Approved
0.5772	Remote Similarity	NPD8378	Approved
0.5772	Remote Similarity	NPD8296	Approved
0.5772	Remote Similarity	NPD8335	Approved
0.5772	Remote Similarity	NPD8379	Approved
0.5766	Remote Similarity	NPD6648	Approved
0.5763	Remote Similarity	NPD6053	Discontinued
0.5758	Remote Similarity	NPD7966	Clinical (unspecified phase)
0.573	Remote Similarity	NPD368	Approved
0.5726	Remote Similarity	NPD5955	Clinical (unspecified phase)
0.5714	Remote Similarity	NPD8133	Approved
0.5714	Remote Similarity	NPD4632	Approved
0.5702	Remote Similarity	NPD4057	Clinical (unspecified phase)
0.5702	Remote Similarity	NPD4056	Clinical (unspecified phase)
0.57	Remote Similarity	NPD7332	Phase 2
0.57	Remote Similarity	NPD7514	Phase 3
0.5686	Remote Similarity	NPD6695	Phase 3
0.5657	Remote Similarity	NPD7145	Approved
0.5652	Remote Similarity	NPD6008	Approved
0.5644	Remote Similarity	NPD6902	Approved
0.5631	Remote Similarity	NPD5766	Clinical (unspecified phase)
0.563	Remote Similarity	NPD6882	Approved
0.5625	Remote Similarity	NPD4732	Discontinued
0.5625	Remote Similarity	NPD6033	Approved

Structure

External Identifiers

PubChem CID	73891092
ChEMBL	CHEMBL3105530
ZINC

Physicochemical Properties

Molecular Weight:	226.08
ALogP:	-1.0143
MLogP:	2.12
XLogP:	-0.489
# Rotatable Bonds:	4
Polar Surface Area:	75.99
# H-Bond Aceptor:	5
# H-Bond Donor:	2
# Rings:	3
# Heavy Atoms:	16

Download Data

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