NPASS Natural Product

Natural Product: NPC475201

Natural Product ID:	NPC475201
Common Name:	6-Deoxy-3,4-Anhydrofusarubin
IUPAC Name:	9-hydroxy-7-methoxy-1H-benzo[g]isochromene-5,10-dione
Synonyms:
Molecular Formula:	C14H10O5
Standard InCHIKey:	LUQDGWQNHSJFDE-UHFFFAOYSA-N
Standard InCHI:	InChI=1S/C14H10O5/c1-18-7-4-9-12(11(15)5-7)14(17)10-6-19-3-2-8(10)13(9)16/h2-5,15H,6H2,1H3
Canonical SMILES:	COc1cc(O)c2c(c1)C(=O)C1=C(C2=O)COC=C1
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
NPO32584	trichopezizella nidulus	Species	Hyaloscyphaceae	Eukaryota				PMID[9548866]

Biological Activity

Activity Type	# Activity
Others	1

Activity Type	# Activity
Organism	1

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT6284	Organism	Lachnellula	Lachnellula	IZ	=	14	mm	18023930

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 NPC475201 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	267
0.1-0.2	1307
0.2-0.3	2543
0.3-0.4	5704
0.4-0.5	7218
0.5-0.6	2679
0.6-0.7	4500
0.7-0.8	4072
0.8-0.85	1969
0.85-0.9	565
0.9-0.95	64
0.95-1	1

Similarity Score	Similarity Level	Natural Product ID
0.9565	High Similarity	NPC156872
0.9433	High Similarity	NPC19896
0.9424	High Similarity	NPC109007
0.931	High Similarity	NPC290954
0.931	High Similarity	NPC255641
0.9247	High Similarity	NPC46882
0.9247	High Similarity	NPC132990
0.9236	High Similarity	NPC312929
0.9236	High Similarity	NPC289042
0.9236	High Similarity	NPC190648
0.9236	High Similarity	NPC126767
0.9236	High Similarity	NPC118027
0.9236	High Similarity	NPC245584
0.9236	High Similarity	NPC56433
0.9231	High Similarity	NPC28632
0.9225	High Similarity	NPC277369
0.9225	High Similarity	NPC215451
0.9178	High Similarity	NPC470568
0.9178	High Similarity	NPC147735
0.9155	High Similarity	NPC49108
0.9143	High Similarity	NPC212767
0.9122	High Similarity	NPC208806
0.9122	High Similarity	NPC155686
0.9116	High Similarity	NPC470569
0.9085	High Similarity	NPC101366
0.9078	High Similarity	NPC12175
0.9078	High Similarity	NPC309154
0.9078	High Similarity	NPC279668
0.9078	High Similarity	NPC55162
0.9078	High Similarity	NPC90665
0.9078	High Similarity	NPC278323
0.9071	High Similarity	NPC87545
0.9071	High Similarity	NPC193792
0.9071	High Similarity	NPC235428
0.9054	High Similarity	NPC154683
0.9054	High Similarity	NPC40356
0.9054	High Similarity	NPC470340
0.9048	High Similarity	NPC295036
0.9048	High Similarity	NPC294646
0.9041	High Similarity	NPC153417
0.9028	High Similarity	NPC21599
0.9028	High Similarity	NPC193703
0.9021	High Similarity	NPC268204
0.9021	High Similarity	NPC182255
0.9021	High Similarity	NPC40118
0.9021	High Similarity	NPC55832
0.9021	High Similarity	NPC126534
0.9021	High Similarity	NPC94076
0.9021	High Similarity	NPC232021
0.9021	High Similarity	NPC26051
0.9021	High Similarity	NPC52789
0.9014	High Similarity	NPC49242
0.9014	High Similarity	NPC469523
0.9014	High Similarity	NPC295384
0.9007	High Similarity	NPC116632
0.9007	High Similarity	NPC303644
0.9007	High Similarity	NPC181124
0.9007	High Similarity	NPC7013
0.9007	High Similarity	NPC209560
0.9007	High Similarity	NPC294409
0.9007	High Similarity	NPC162680
0.9	High Similarity	NPC472050
0.9	High Similarity	NPC39426
0.9	High Similarity	NPC234560
0.9	High Similarity	NPC242712
0.8986	High Similarity	NPC230848
0.898	High Similarity	NPC10027
0.898	High Similarity	NPC80370
0.898	High Similarity	NPC65775
0.898	High Similarity	NPC134293
0.8978	High Similarity	NPC185497
0.8973	High Similarity	NPC22005
0.8973	High Similarity	NPC7943
0.8973	High Similarity	NPC123202
0.8966	High Similarity	NPC49282
0.8966	High Similarity	NPC476055
0.8958	High Similarity	NPC84266
0.8951	High Similarity	NPC253822
0.8951	High Similarity	NPC172250
0.8951	High Similarity	NPC215311
0.8951	High Similarity	NPC265178
0.8951	High Similarity	NPC213659
0.8951	High Similarity	NPC48624
0.8951	High Similarity	NPC259166
0.8951	High Similarity	NPC204985
0.8951	High Similarity	NPC144118
0.8951	High Similarity	NPC80962
0.8951	High Similarity	NPC326109
0.8951	High Similarity	NPC219917
0.8944	High Similarity	NPC25427
0.8944	High Similarity	NPC92655
0.8944	High Similarity	NPC57380
0.8936	High Similarity	NPC473391
0.8936	High Similarity	NPC472364
0.8936	High Similarity	NPC472367
0.8936	High Similarity	NPC476333
0.8936	High Similarity	NPC135837
0.8933	High Similarity	NPC66508
0.8933	High Similarity	NPC226656
0.8929	High Similarity	NPC182496
0.8929	High Similarity	NPC180905
0.8926	High Similarity	NPC149889
0.8926	High Similarity	NPC312338
0.8919	High Similarity	NPC85131
0.8919	High Similarity	NPC202595
0.8919	High Similarity	NPC470107
0.8912	High Similarity	NPC7025
0.8912	High Similarity	NPC2569
0.8912	High Similarity	NPC27221
0.8912	High Similarity	NPC256672
0.8912	High Similarity	NPC172329
0.8905	High Similarity	NPC60558
0.8904	High Similarity	NPC472033
0.8897	High Similarity	NPC48762
0.8889	High Similarity	NPC469404
0.8882	High Similarity	NPC324736
0.8881	High Similarity	NPC283429
0.8881	High Similarity	NPC472366
0.8881	High Similarity	NPC165172
0.8867	High Similarity	NPC169990
0.8867	High Similarity	NPC107109
0.8867	High Similarity	NPC210942
0.8867	High Similarity	NPC93552
0.8867	High Similarity	NPC214632
0.8865	High Similarity	NPC141934
0.8859	High Similarity	NPC258249
0.8851	High Similarity	NPC77325
0.8851	High Similarity	NPC100985
0.8851	High Similarity	NPC158338
0.8851	High Similarity	NPC97028
0.8851	High Similarity	NPC65589
0.8851	High Similarity	NPC4423
0.8851	High Similarity	NPC84142
0.8851	High Similarity	NPC288036
0.8851	High Similarity	NPC97029
0.8851	High Similarity	NPC329933
0.8844	High Similarity	NPC34802
0.8836	High Similarity	NPC472034
0.8836	High Similarity	NPC34482
0.8836	High Similarity	NPC478019
0.8832	High Similarity	NPC80694
0.8832	High Similarity	NPC186098
0.8828	High Similarity	NPC472006
0.8828	High Similarity	NPC297600
0.8828	High Similarity	NPC167663
0.8828	High Similarity	NPC310340
0.8819	High Similarity	NPC275734
0.8819	High Similarity	NPC90411
0.8819	High Similarity	NPC475730
0.8816	High Similarity	NPC263483
0.8816	High Similarity	NPC178976
0.8811	High Similarity	NPC268052
0.8811	High Similarity	NPC472368
0.88	High Similarity	NPC271681
0.88	High Similarity	NPC474993
0.88	High Similarity	NPC268992
0.88	High Similarity	NPC51824
0.88	High Similarity	NPC470337
0.88	High Similarity	NPC180944
0.88	High Similarity	NPC470338
0.88	High Similarity	NPC113608
0.8794	High Similarity	NPC164136
0.8792	High Similarity	NPC164762
0.8786	High Similarity	NPC129132
0.8786	High Similarity	NPC87231
0.8786	High Similarity	NPC212631
0.8786	High Similarity	NPC257756
0.8786	High Similarity	NPC205468
0.8784	High Similarity	NPC216624
0.8777	High Similarity	NPC250057
0.8776	High Similarity	NPC470570
0.8776	High Similarity	NPC163846
0.8776	High Similarity	NPC225173
0.8776	High Similarity	NPC12377
0.8767	High Similarity	NPC51887
0.8767	High Similarity	NPC475705
0.8767	High Similarity	NPC38065
0.8767	High Similarity	NPC476178
0.8767	High Similarity	NPC242893
0.8767	High Similarity	NPC117836
0.8759	High Similarity	NPC474385
0.8759	High Similarity	NPC96692
0.8759	High Similarity	NPC103752
0.8759	High Similarity	NPC305518
0.8759	High Similarity	NPC250755
0.8759	High Similarity	NPC128428
0.8758	High Similarity	NPC477410
0.875	High Similarity	NPC473076
0.875	High Similarity	NPC5379
0.875	High Similarity	NPC477956
0.875	High Similarity	NPC109232
0.875	High Similarity	NPC77807
0.875	High Similarity	NPC14561
0.8742	High Similarity	NPC329844
0.8741	High Similarity	NPC250266
0.8741	High Similarity	NPC472419
0.8741	High Similarity	NPC266597
0.8733	High Similarity	NPC91809
0.8733	High Similarity	NPC478148
0.8733	High Similarity	NPC232645

Similar Clinical/Approved Drugs

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

● The left chart: Distribution of similarity level between NPC475201 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	288
0.1-0.2	982
0.2-0.3	1547
0.3-0.4	2564
0.4-0.5	1982
0.5-0.6	1169
0.6-0.7	439
0.7-0.8	157
0.8-0.85	27
0.85-0.9	5
0.9-0.95	1
0.95-1	0

Similarity Score	Similarity Level	Drug ID	Developmental Stage
0.9	High Similarity	NPD1510	Phase 2
0.8944	High Similarity	NPD970	Clinical (unspecified phase)
0.8723	High Similarity	NPD1607	Approved
0.8714	High Similarity	NPD1240	Approved
0.8601	High Similarity	NPD1509	Clinical (unspecified phase)
0.8552	High Similarity	NPD1549	Phase 2
0.8497	Intermediate Similarity	NPD7819	Suspended
0.8483	Intermediate Similarity	NPD1550	Clinical (unspecified phase)
0.8483	Intermediate Similarity	NPD1552	Clinical (unspecified phase)
0.8456	Intermediate Similarity	NPD2534	Approved
0.8456	Intermediate Similarity	NPD4378	Clinical (unspecified phase)
0.8456	Intermediate Similarity	NPD2532	Approved
0.8456	Intermediate Similarity	NPD2533	Approved
0.8435	Intermediate Similarity	NPD1878	Clinical (unspecified phase)
0.8389	Intermediate Similarity	NPD1511	Approved
0.8354	Intermediate Similarity	NPD6232	Discontinued
0.8313	Intermediate Similarity	NPD7473	Discontinued
0.8311	Intermediate Similarity	NPD3750	Approved
0.8301	Intermediate Similarity	NPD4380	Phase 2
0.8288	Intermediate Similarity	NPD2796	Approved
0.8278	Intermediate Similarity	NPD1512	Approved
0.8258	Intermediate Similarity	NPD2801	Approved
0.8258	Intermediate Similarity	NPD2393	Clinical (unspecified phase)
0.8212	Intermediate Similarity	NPD7410	Clinical (unspecified phase)
0.8194	Intermediate Similarity	NPD1934	Approved
0.8176	Intermediate Similarity	NPD6959	Discontinued
0.8153	Intermediate Similarity	NPD3882	Suspended
0.8121	Intermediate Similarity	NPD2800	Approved
0.8089	Intermediate Similarity	NPD8443	Clinical (unspecified phase)
0.8085	Intermediate Similarity	NPD1470	Approved
0.8041	Intermediate Similarity	NPD1551	Phase 2
0.8013	Intermediate Similarity	NPD7411	Suspended
0.8	Intermediate Similarity	NPD3226	Approved
0.7987	Intermediate Similarity	NPD7075	Discontinued
0.7987	Intermediate Similarity	NPD3749	Approved
0.7973	Intermediate Similarity	NPD651	Clinical (unspecified phase)
0.7973	Intermediate Similarity	NPD3748	Approved
0.7959	Intermediate Similarity	NPD6651	Approved
0.7945	Intermediate Similarity	NPD943	Approved
0.7919	Intermediate Similarity	NPD2935	Discontinued
0.7911	Intermediate Similarity	NPD7096	Clinical (unspecified phase)
0.7908	Intermediate Similarity	NPD6799	Approved
0.7883	Intermediate Similarity	NPD405	Clinical (unspecified phase)
0.7875	Intermediate Similarity	NPD4381	Clinical (unspecified phase)
0.7871	Intermediate Similarity	NPD920	Approved
0.7862	Intermediate Similarity	NPD3817	Phase 2
0.7848	Intermediate Similarity	NPD6801	Discontinued
0.7834	Intermediate Similarity	NPD6599	Discontinued
0.7818	Intermediate Similarity	NPD3818	Discontinued
0.7812	Intermediate Similarity	NPD7768	Phase 2
0.7805	Intermediate Similarity	NPD7852	Clinical (unspecified phase)
0.7801	Intermediate Similarity	NPD1201	Approved
0.7792	Intermediate Similarity	NPD7390	Discontinued
0.7791	Intermediate Similarity	NPD5711	Approved
0.7791	Intermediate Similarity	NPD5710	Approved
0.7778	Intermediate Similarity	NPD5494	Approved
0.777	Intermediate Similarity	NPD230	Phase 1
0.7763	Intermediate Similarity	NPD1243	Approved
0.7748	Intermediate Similarity	NPD2344	Approved
0.7748	Intermediate Similarity	NPD2346	Discontinued
0.7742	Intermediate Similarity	NPD642	Clinical (unspecified phase)
0.7727	Intermediate Similarity	NPD643	Clinical (unspecified phase)
0.7712	Intermediate Similarity	NPD6398	Clinical (unspecified phase)
0.7697	Intermediate Similarity	NPD6168	Clinical (unspecified phase)
0.7697	Intermediate Similarity	NPD6167	Clinical (unspecified phase)
0.7697	Intermediate Similarity	NPD6166	Phase 2
0.7682	Intermediate Similarity	NPD6100	Approved
0.7682	Intermediate Similarity	NPD6099	Approved
0.7665	Intermediate Similarity	NPD7054	Approved
0.7665	Intermediate Similarity	NPD5844	Phase 1
0.7647	Intermediate Similarity	NPD7421	Clinical (unspecified phase)
0.764	Intermediate Similarity	NPD5402	Approved
0.7622	Intermediate Similarity	NPD1247	Approved
0.7619	Intermediate Similarity	NPD7472	Approved
0.7607	Intermediate Similarity	NPD919	Approved
0.7593	Intermediate Similarity	NPD4868	Clinical (unspecified phase)
0.7578	Intermediate Similarity	NPD1465	Phase 2
0.7574	Intermediate Similarity	NPD6797	Phase 2
0.7574	Intermediate Similarity	NPD5953	Discontinued
0.7568	Intermediate Similarity	NPD6859	Clinical (unspecified phase)
0.756	Intermediate Similarity	NPD7804	Clinical (unspecified phase)
0.7548	Intermediate Similarity	NPD2309	Approved
0.7543	Intermediate Similarity	NPD7879	Clinical (unspecified phase)
0.7534	Intermediate Similarity	NPD2798	Approved
0.7532	Intermediate Similarity	NPD5403	Approved
0.7529	Intermediate Similarity	NPD7251	Discontinued
0.7529	Intermediate Similarity	NPD6559	Discontinued
0.7518	Intermediate Similarity	NPD9545	Approved
0.7516	Intermediate Similarity	NPD5401	Approved
0.7516	Intermediate Similarity	NPD1471	Phase 3
0.7515	Intermediate Similarity	NPD7074	Phase 3
0.75	Intermediate Similarity	NPD2799	Discontinued
0.75	Intermediate Similarity	NPD9717	Approved
0.75	Intermediate Similarity	NPD3751	Discontinued
0.75	Intermediate Similarity	NPD9493	Approved
0.7485	Intermediate Similarity	NPD4419	Clinical (unspecified phase)
0.7485	Intermediate Similarity	NPD7808	Phase 3
0.7485	Intermediate Similarity	NPD4338	Clinical (unspecified phase)
0.7483	Intermediate Similarity	NPD9494	Approved
0.7466	Intermediate Similarity	NPD1203	Approved
0.7451	Intermediate Similarity	NPD5408	Approved
0.7451	Intermediate Similarity	NPD5406	Approved
0.7451	Intermediate Similarity	NPD5404	Approved
0.7451	Intermediate Similarity	NPD5405	Approved
0.745	Intermediate Similarity	NPD411	Approved
0.745	Intermediate Similarity	NPD2313	Discontinued
0.7431	Intermediate Similarity	NPD422	Phase 1
0.7425	Intermediate Similarity	NPD3926	Phase 2
0.7419	Intermediate Similarity	NPD2654	Approved
0.7417	Intermediate Similarity	NPD447	Suspended
0.7394	Intermediate Similarity	NPD1548	Phase 1
0.7372	Intermediate Similarity	NPD4628	Phase 3
0.7353	Intermediate Similarity	NPD7286	Phase 2
0.7333	Intermediate Similarity	NPD3764	Approved
0.733	Intermediate Similarity	NPD8397	Clinical (unspecified phase)
0.7317	Intermediate Similarity	NPD4288	Approved
0.7312	Intermediate Similarity	NPD6980	Clinical (unspecified phase)
0.731	Intermediate Similarity	NPD1610	Phase 2
0.731	Intermediate Similarity	NPD1547	Clinical (unspecified phase)
0.7301	Intermediate Similarity	NPD37	Approved
0.7297	Intermediate Similarity	NPD6917	Clinical (unspecified phase)
0.7286	Intermediate Similarity	NPD1241	Discontinued
0.7279	Intermediate Similarity	NPD1876	Approved
0.7279	Intermediate Similarity	NPD1283	Approved
0.7267	Intermediate Similarity	NPD4625	Phase 3
0.7261	Intermediate Similarity	NPD7003	Approved
0.726	Intermediate Similarity	NPD3972	Approved
0.7253	Intermediate Similarity	NPD6779	Approved
0.7253	Intermediate Similarity	NPD7501	Clinical (unspecified phase)
0.7253	Intermediate Similarity	NPD6780	Approved
0.7253	Intermediate Similarity	NPD6781	Approved
0.7253	Intermediate Similarity	NPD6777	Approved
0.7253	Intermediate Similarity	NPD6778	Approved
0.7253	Intermediate Similarity	NPD6776	Approved
0.7253	Intermediate Similarity	NPD6782	Approved
0.7222	Intermediate Similarity	NPD7458	Discontinued
0.7222	Intermediate Similarity	NPD1651	Approved
0.7222	Intermediate Similarity	NPD5808	Clinical (unspecified phase)
0.7219	Intermediate Similarity	NPD6410	Clinical (unspecified phase)
0.7219	Intermediate Similarity	NPD4907	Clinical (unspecified phase)
0.7211	Intermediate Similarity	NPD4749	Approved
0.72	Intermediate Similarity	NPD6832	Phase 2
0.72	Intermediate Similarity	NPD4908	Phase 1
0.719	Intermediate Similarity	NPD1899	Clinical (unspecified phase)
0.7186	Intermediate Similarity	NPD6234	Discontinued
0.7172	Intermediate Similarity	NPD4626	Approved
0.7169	Intermediate Similarity	NPD4967	Phase 2
0.7169	Intermediate Similarity	NPD4965	Approved
0.7169	Intermediate Similarity	NPD4966	Approved
0.7168	Intermediate Similarity	NPD7993	Clinical (unspecified phase)
0.7161	Intermediate Similarity	NPD4308	Phase 3
0.716	Intermediate Similarity	NPD7229	Phase 3
0.7143	Intermediate Similarity	NPD1608	Approved
0.7143	Intermediate Similarity	NPD1609	Clinical (unspecified phase)
0.7143	Intermediate Similarity	NPD9269	Phase 2
0.7143	Intermediate Similarity	NPD8313	Approved
0.7143	Intermediate Similarity	NPD8312	Approved
0.7135	Intermediate Similarity	NPD7435	Discontinued
0.7135	Intermediate Similarity	NPD7698	Approved
0.7135	Intermediate Similarity	NPD7696	Phase 3
0.7135	Intermediate Similarity	NPD7697	Approved
0.7128	Intermediate Similarity	NPD8151	Discontinued
0.7119	Intermediate Similarity	NPD8150	Discontinued
0.7119	Intermediate Similarity	NPD8434	Phase 2
0.7114	Intermediate Similarity	NPD1164	Approved
0.7105	Intermediate Similarity	NPD3268	Approved
0.7103	Intermediate Similarity	NPD9268	Approved
0.7097	Intermediate Similarity	NPD7871	Phase 2
0.7097	Intermediate Similarity	NPD7870	Phase 2
0.7081	Intermediate Similarity	NPD7004	Clinical (unspecified phase)
0.7081	Intermediate Similarity	NPD7422	Clinical (unspecified phase)
0.7075	Intermediate Similarity	NPD1281	Approved
0.7072	Intermediate Similarity	NPD4363	Phase 3
0.7072	Intermediate Similarity	NPD4360	Phase 2
0.7067	Intermediate Similarity	NPD1019	Discontinued
0.7059	Intermediate Similarity	NPD3787	Discontinued
0.7051	Intermediate Similarity	NPD7033	Discontinued
0.7048	Intermediate Similarity	NPD5761	Phase 2
0.7048	Intermediate Similarity	NPD5760	Phase 2
0.7039	Intermediate Similarity	NPD4287	Approved
0.7037	Intermediate Similarity	NPD6273	Approved
0.7033	Intermediate Similarity	NPD4361	Phase 2
0.7033	Intermediate Similarity	NPD4362	Clinical (unspecified phase)
0.7029	Intermediate Similarity	NPD3658	Clinical (unspecified phase)
0.7013	Intermediate Similarity	NPD1612	Clinical (unspecified phase)
0.7013	Intermediate Similarity	NPD1613	Approved
0.7011	Intermediate Similarity	NPD1729	Discontinued
0.7006	Intermediate Similarity	NPD2296	Approved
0.7	Intermediate Similarity	NPD2797	Approved
0.7	Intermediate Similarity	NPD7199	Phase 2
0.6994	Remote Similarity	NPD7177	Discontinued
0.6993	Remote Similarity	NPD1296	Phase 2
0.6988	Remote Similarity	NPD6844	Discontinued
0.6986	Remote Similarity	NPD5691	Approved
0.6984	Remote Similarity	NPD7701	Phase 2
0.6978	Remote Similarity	NPD6535	Approved
0.6978	Remote Similarity	NPD6534	Approved
0.6974	Remote Similarity	NPD1529	Clinical (unspecified phase)
0.6968	Remote Similarity	NPD5124	Phase 1
0.6968	Remote Similarity	NPD5123	Clinical (unspecified phase)

Structure

External Identifiers

PubChem CID	44575447
ChEMBL	CHEMBL500838
ZINC

Physicochemical Properties

Molecular Weight:	258.05
ALogP:	-1.1588
MLogP:	2.45
XLogP:	0.191
# Rotatable Bonds:	3
Polar Surface Area:	72.83
# H-Bond Aceptor:	3
# H-Bond Donor:	1
# Rings:	3
# Heavy Atoms:	19

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