NPASS Natural Product

Natural Product: NPC94810

Natural Product ID:	NPC94810
Common Name:	3,4-Dihydroxybenzoic Anhydride
IUPAC Name:	(3,4-dihydroxybenzoyl) 3,4-dihydroxybenzoate
Synonyms:
Molecular Formula:	C14H10O7
Standard InCHIKey:	INZJGLGPSGHIGY-UHFFFAOYSA-N
Standard InCHI:	InChI=1S/C14H10O7/c15-9-3-1-7(5-11(9)17)13(19)21-14(20)8-2-4-10(16)12(18)6-8/h1-6,15-18H
Canonical SMILES:	O=C(c1ccc(c(c1)O)O)OC(=O)c1ccc(c(c1)O)O
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
NPO33051	mango tree	NA	NA	NA	Stem barks			PMID[24613627]

Biological Activity

Activity Type	# Activity
Others	1

Activity Type	# Activity
Individual Protein	1

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT3084	Individual Protein	Neuraminidase	Influenza A virus	Inhibition	=	26.4	%	7996553

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 NPC94810 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	258
0.1-0.2	1120
0.2-0.3	2687
0.3-0.4	5797
0.4-0.5	7183
0.5-0.6	2632
0.6-0.7	5694
0.7-0.8	5033
0.8-0.85	373
0.85-0.9	97
0.9-0.95	13
0.95-1	2

Similarity Score	Similarity Level	Natural Product ID
0.952	High Similarity	NPC226855
0.9516	High Similarity	NPC158654
0.9173	High Similarity	NPC290664
0.9173	High Similarity	NPC326065
0.9104	High Similarity	NPC91546
0.9098	High Similarity	NPC156654
0.9077	High Similarity	NPC159418
0.9077	High Similarity	NPC156124
0.9077	High Similarity	NPC1321
0.9077	High Similarity	NPC304929
0.9077	High Similarity	NPC283823
0.907	High Similarity	NPC264145
0.907	High Similarity	NPC318799
0.9015	High Similarity	NPC156307
0.9	High Similarity	NPC111888
0.8939	High Similarity	NPC18646
0.8931	High Similarity	NPC239855
0.8889	High Similarity	NPC212541
0.8881	High Similarity	NPC239943
0.8872	High Similarity	NPC156892
0.8846	High Similarity	NPC285776
0.8841	High Similarity	NPC262282
0.8832	High Similarity	NPC121573
0.8832	High Similarity	NPC226738
0.8832	High Similarity	NPC134975
0.8832	High Similarity	NPC190587
0.8832	High Similarity	NPC22176
0.8819	High Similarity	NPC85565
0.8815	High Similarity	NPC225036
0.8815	High Similarity	NPC12218
0.8815	High Similarity	NPC75763
0.8815	High Similarity	NPC105525
0.8777	High Similarity	NPC229264
0.8731	High Similarity	NPC475111
0.8722	High Similarity	NPC248150
0.8722	High Similarity	NPC106406
0.8714	High Similarity	NPC17042
0.8714	High Similarity	NPC472969
0.8714	High Similarity	NPC155910
0.8696	High Similarity	NPC473090
0.8696	High Similarity	NPC50221
0.8696	High Similarity	NPC114242
0.8676	High Similarity	NPC134969
0.8676	High Similarity	NPC191280
0.8672	High Similarity	NPC288945
0.8667	High Similarity	NPC112068
0.8667	High Similarity	NPC25305
0.8667	High Similarity	NPC110899
0.8667	High Similarity	NPC95679
0.8667	High Similarity	NPC125417
0.8661	High Similarity	NPC225710
0.8652	High Similarity	NPC42464
0.8652	High Similarity	NPC98809
0.8652	High Similarity	NPC107636
0.8652	High Similarity	NPC476394
0.8636	High Similarity	NPC198388
0.8633	High Similarity	NPC257025
0.8633	High Similarity	NPC113397
0.8618	High Similarity	NPC4665
0.8615	High Similarity	NPC107672
0.8603	High Similarity	NPC257173
0.8603	High Similarity	NPC302857
0.8603	High Similarity	NPC152942
0.8603	High Similarity	NPC37250
0.8603	High Similarity	NPC278068
0.8603	High Similarity	NPC142703
0.8603	High Similarity	NPC112135
0.8603	High Similarity	NPC219428
0.8593	High Similarity	NPC326847
0.8592	High Similarity	NPC306343
0.8583	High Similarity	NPC472271
0.8583	High Similarity	NPC147654
0.8582	High Similarity	NPC120621
0.8582	High Similarity	NPC142528
0.8582	High Similarity	NPC43123
0.8582	High Similarity	NPC248257
0.8571	High Similarity	NPC61
0.8571	High Similarity	NPC25581
0.8571	High Similarity	NPC5419
0.8571	High Similarity	NPC473867
0.8571	High Similarity	NPC18074
0.8561	High Similarity	NPC474692
0.8561	High Similarity	NPC469615
0.8561	High Similarity	NPC229036
0.856	High Similarity	NPC275519
0.856	High Similarity	NPC27633
0.856	High Similarity	NPC94298
0.8551	High Similarity	NPC471027
0.8551	High Similarity	NPC206095
0.8551	High Similarity	NPC297517
0.8551	High Similarity	NPC224389
0.8551	High Similarity	NPC35702
0.8551	High Similarity	NPC13818
0.8551	High Similarity	NPC477335
0.8548	High Similarity	NPC131192
0.854	High Similarity	NPC295492
0.854	High Similarity	NPC205751
0.854	High Similarity	NPC476820
0.854	High Similarity	NPC274891
0.854	High Similarity	NPC474875
0.854	High Similarity	NPC476819
0.854	High Similarity	NPC303683
0.854	High Similarity	NPC26241
0.8538	High Similarity	NPC154275
0.8531	High Similarity	NPC140151
0.8529	High Similarity	NPC62907
0.8521	High Similarity	NPC92117
0.8521	High Similarity	NPC75945
0.8507	High Similarity	NPC168799
0.8507	High Similarity	NPC155209
0.85	High Similarity	NPC108455
0.85	High Similarity	NPC469683
0.8489	Intermediate Similarity	NPC192831
0.8489	Intermediate Similarity	NPC472016
0.8489	Intermediate Similarity	NPC303090
0.8489	Intermediate Similarity	NPC37331
0.8489	Intermediate Similarity	NPC258469
0.8489	Intermediate Similarity	NPC277315
0.8489	Intermediate Similarity	NPC43158
0.8489	Intermediate Similarity	NPC284948
0.8489	Intermediate Similarity	NPC319628
0.8489	Intermediate Similarity	NPC220664
0.848	Intermediate Similarity	NPC150919
0.8473	Intermediate Similarity	NPC281020
0.8472	Intermediate Similarity	NPC75695
0.8451	Intermediate Similarity	NPC476463
0.845	Intermediate Similarity	NPC285345
0.8444	Intermediate Similarity	NPC45404
0.8444	Intermediate Similarity	NPC155098
0.844	Intermediate Similarity	NPC287495
0.844	Intermediate Similarity	NPC75295
0.844	Intermediate Similarity	NPC258856
0.844	Intermediate Similarity	NPC9370
0.8429	Intermediate Similarity	NPC470130
0.8421	Intermediate Similarity	NPC66905
0.8409	Intermediate Similarity	NPC167463
0.8409	Intermediate Similarity	NPC2596
0.8406	Intermediate Similarity	NPC471819
0.8403	Intermediate Similarity	NPC243891
0.8403	Intermediate Similarity	NPC252979
0.8387	Intermediate Similarity	NPC81808
0.8382	Intermediate Similarity	NPC139519
0.8369	Intermediate Similarity	NPC477333
0.8358	Intermediate Similarity	NPC34070
0.8358	Intermediate Similarity	NPC469526
0.8357	Intermediate Similarity	NPC312256
0.8356	Intermediate Similarity	NPC281703
0.8356	Intermediate Similarity	NPC194095
0.8356	Intermediate Similarity	NPC327032
0.8356	Intermediate Similarity	NPC191046
0.8356	Intermediate Similarity	NPC125487
0.8346	Intermediate Similarity	NPC141791
0.8346	Intermediate Similarity	NPC64111
0.8346	Intermediate Similarity	NPC263386
0.8345	Intermediate Similarity	NPC327187
0.8345	Intermediate Similarity	NPC9218
0.8345	Intermediate Similarity	NPC267091
0.8333	Intermediate Similarity	NPC207516
0.8333	Intermediate Similarity	NPC32163
0.8333	Intermediate Similarity	NPC16651
0.8333	Intermediate Similarity	NPC284409
0.8333	Intermediate Similarity	NPC214620
0.8333	Intermediate Similarity	NPC473091
0.8322	Intermediate Similarity	NPC192568
0.8322	Intermediate Similarity	NPC471076
0.8321	Intermediate Similarity	NPC67951
0.8321	Intermediate Similarity	NPC197832
0.831	Intermediate Similarity	NPC70136
0.831	Intermediate Similarity	NPC98356
0.8309	Intermediate Similarity	NPC68517
0.8309	Intermediate Similarity	NPC474895
0.8309	Intermediate Similarity	NPC144662
0.8308	Intermediate Similarity	NPC306100
0.8299	Intermediate Similarity	NPC203757
0.8299	Intermediate Similarity	NPC80489
0.8299	Intermediate Similarity	NPC145425
0.8298	Intermediate Similarity	NPC287722
0.8298	Intermediate Similarity	NPC239608
0.8298	Intermediate Similarity	NPC50954
0.8298	Intermediate Similarity	NPC46161
0.8296	Intermediate Similarity	NPC135801
0.8295	Intermediate Similarity	NPC322332
0.8288	Intermediate Similarity	NPC61152
0.8288	Intermediate Similarity	NPC16024
0.8288	Intermediate Similarity	NPC3746
0.8288	Intermediate Similarity	NPC44260
0.8288	Intermediate Similarity	NPC205037
0.8286	Intermediate Similarity	NPC110419
0.8284	Intermediate Similarity	NPC285361
0.8284	Intermediate Similarity	NPC26697
0.8273	Intermediate Similarity	NPC156709
0.8273	Intermediate Similarity	NPC179505
0.8273	Intermediate Similarity	NPC289690
0.8273	Intermediate Similarity	NPC288452
0.8271	Intermediate Similarity	NPC46192
0.8271	Intermediate Similarity	NPC79332
0.8271	Intermediate Similarity	NPC234175
0.8264	Intermediate Similarity	NPC12367
0.8264	Intermediate Similarity	NPC118726
0.8261	Intermediate Similarity	NPC308976

Similar Clinical/Approved Drugs

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

● The left chart: Distribution of similarity level between NPC94810 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	267
0.1-0.2	837
0.2-0.3	1529
0.3-0.4	2603
0.4-0.5	2048
0.5-0.6	1264
0.6-0.7	476
0.7-0.8	125
0.8-0.85	9
0.85-0.9	2
0.9-0.95	1
0.95-1	0

Similarity Score	Similarity Level	Drug ID	Developmental Stage
0.9077	High Similarity	NPD230	Phase 1
0.8661	High Similarity	NPD9269	Phase 2
0.856	High Similarity	NPD9545	Approved
0.8489	Intermediate Similarity	NPD6190	Approved
0.8346	Intermediate Similarity	NPD9268	Approved
0.8296	Intermediate Similarity	NPD943	Approved
0.8284	Intermediate Similarity	NPD3764	Approved
0.8239	Intermediate Similarity	NPD1511	Approved
0.8195	Intermediate Similarity	NPD9494	Approved
0.8125	Intermediate Similarity	NPD1512	Approved
0.8121	Intermediate Similarity	NPD4868	Clinical (unspecified phase)
0.8115	Intermediate Similarity	NPD9265	Clinical (unspecified phase)
0.7987	Intermediate Similarity	NPD1465	Phase 2
0.7902	Intermediate Similarity	NPD4628	Phase 3
0.7867	Intermediate Similarity	NPD2801	Approved
0.7862	Intermediate Similarity	NPD6143	Clinical (unspecified phase)
0.7842	Intermediate Similarity	NPD447	Suspended
0.782	Intermediate Similarity	NPD1608	Approved
0.7801	Intermediate Similarity	NPD651	Clinical (unspecified phase)
0.78	Intermediate Similarity	NPD1934	Approved
0.7763	Intermediate Similarity	NPD3882	Suspended
0.7761	Intermediate Similarity	NPD4379	Clinical (unspecified phase)
0.7748	Intermediate Similarity	NPD2393	Clinical (unspecified phase)
0.7718	Intermediate Similarity	NPD3455	Phase 2
0.7692	Intermediate Similarity	NPD7266	Discontinued
0.7647	Intermediate Similarity	NPD1203	Approved
0.7639	Intermediate Similarity	NPD970	Clinical (unspecified phase)
0.7622	Intermediate Similarity	NPD2935	Discontinued
0.7616	Intermediate Similarity	NPD6385	Approved
0.7616	Intermediate Similarity	NPD6386	Approved
0.7594	Intermediate Similarity	NPD17	Approved
0.7586	Intermediate Similarity	NPD7421	Clinical (unspecified phase)
0.7582	Intermediate Similarity	NPD3817	Phase 2
0.7578	Intermediate Similarity	NPD7685	Pre-registration
0.7557	Intermediate Similarity	NPD9493	Approved
0.7556	Intermediate Similarity	NPD1481	Phase 2
0.7552	Intermediate Similarity	NPD1510	Phase 2
0.7547	Intermediate Similarity	NPD3818	Discontinued
0.7534	Intermediate Similarity	NPD8166	Discontinued
0.7534	Intermediate Similarity	NPD3750	Approved
0.7518	Intermediate Similarity	NPD1240	Approved
0.7516	Intermediate Similarity	NPD6232	Discontinued
0.7516	Intermediate Similarity	NPD7993	Clinical (unspecified phase)
0.75	Intermediate Similarity	NPD1551	Phase 2
0.7481	Intermediate Similarity	NPD1535	Discovery
0.7467	Intermediate Similarity	NPD6980	Clinical (unspecified phase)
0.7423	Intermediate Similarity	NPD4338	Clinical (unspecified phase)
0.7413	Intermediate Similarity	NPD1607	Approved
0.7397	Intermediate Similarity	NPD1549	Phase 2
0.7391	Intermediate Similarity	NPD1470	Approved
0.7383	Intermediate Similarity	NPD6799	Approved
0.7376	Intermediate Similarity	NPD2313	Discontinued
0.7375	Intermediate Similarity	NPD7473	Discontinued
0.7368	Intermediate Similarity	NPD3226	Approved
0.7357	Intermediate Similarity	NPD1529	Clinical (unspecified phase)
0.7329	Intermediate Similarity	NPD1552	Clinical (unspecified phase)
0.7329	Intermediate Similarity	NPD1550	Clinical (unspecified phase)
0.732	Intermediate Similarity	NPD4380	Phase 2
0.7312	Intermediate Similarity	NPD6168	Clinical (unspecified phase)
0.7312	Intermediate Similarity	NPD6167	Clinical (unspecified phase)
0.7312	Intermediate Similarity	NPD6166	Phase 2
0.731	Intermediate Similarity	NPD2799	Discontinued
0.7299	Intermediate Similarity	NPD9717	Approved
0.7287	Intermediate Similarity	NPD3022	Approved
0.7287	Intermediate Similarity	NPD3021	Approved
0.7286	Intermediate Similarity	NPD1530	Clinical (unspecified phase)
0.7284	Intermediate Similarity	NPD7054	Approved
0.7284	Intermediate Similarity	NPD5844	Phase 1
0.7266	Intermediate Similarity	NPD1164	Approved
0.7261	Intermediate Similarity	NPD7075	Discontinued
0.7258	Intermediate Similarity	NPD1238	Approved
0.7254	Intermediate Similarity	NPD6859	Clinical (unspecified phase)
0.7248	Intermediate Similarity	NPD2354	Approved
0.7239	Intermediate Similarity	NPD5536	Phase 2
0.7239	Intermediate Similarity	NPD7074	Phase 3
0.7239	Intermediate Similarity	NPD7472	Approved
0.7226	Intermediate Similarity	NPD1201	Approved
0.7219	Intermediate Similarity	NPD4378	Clinical (unspecified phase)
0.7214	Intermediate Similarity	NPD258	Approved
0.7214	Intermediate Similarity	NPD257	Approved
0.7211	Intermediate Similarity	NPD2346	Discontinued
0.7211	Intermediate Similarity	NPD2344	Approved
0.7209	Intermediate Similarity	NPD9266	Approved
0.7209	Intermediate Similarity	NPD74	Approved
0.7195	Intermediate Similarity	NPD6797	Phase 2
0.7194	Intermediate Similarity	NPD3225	Approved
0.7194	Intermediate Similarity	NPD1283	Approved
0.7192	Intermediate Similarity	NPD3748	Approved
0.7192	Intermediate Similarity	NPD1509	Clinical (unspecified phase)
0.7186	Intermediate Similarity	NPD8055	Clinical (unspecified phase)
0.7183	Intermediate Similarity	NPD3027	Phase 3
0.7179	Intermediate Similarity	NPD7096	Clinical (unspecified phase)
0.7179	Intermediate Similarity	NPD7819	Suspended
0.7176	Intermediate Similarity	NPD228	Approved
0.7164	Intermediate Similarity	NPD405	Clinical (unspecified phase)
0.7163	Intermediate Similarity	NPD9569	Approved
0.716	Intermediate Similarity	NPD8397	Clinical (unspecified phase)
0.7153	Intermediate Similarity	NPD1613	Approved
0.7153	Intermediate Similarity	NPD1612	Clinical (unspecified phase)
0.7153	Intermediate Similarity	NPD826	Approved
0.7153	Intermediate Similarity	NPD825	Approved
0.7152	Intermediate Similarity	NPD3749	Approved
0.7152	Intermediate Similarity	NPD7251	Discontinued
0.7152	Intermediate Similarity	NPD4381	Clinical (unspecified phase)
0.7143	Intermediate Similarity	NPD5406	Approved
0.7143	Intermediate Similarity	NPD5408	Approved
0.7143	Intermediate Similarity	NPD5405	Approved
0.7143	Intermediate Similarity	NPD5242	Approved
0.7143	Intermediate Similarity	NPD5404	Approved
0.7134	Intermediate Similarity	NPD5402	Approved
0.7134	Intermediate Similarity	NPD5353	Approved
0.7133	Intermediate Similarity	NPD411	Approved
0.7132	Intermediate Similarity	NPD9267	Approved
0.7132	Intermediate Similarity	NPD9263	Approved
0.7132	Intermediate Similarity	NPD9264	Approved
0.7107	Intermediate Similarity	NPD6234	Discontinued
0.7105	Intermediate Similarity	NPD7422	Clinical (unspecified phase)
0.7105	Intermediate Similarity	NPD2533	Approved
0.7105	Intermediate Similarity	NPD2532	Approved
0.7105	Intermediate Similarity	NPD2534	Approved
0.7103	Intermediate Similarity	NPD1899	Clinical (unspecified phase)
0.7103	Intermediate Similarity	NPD555	Phase 2
0.7103	Intermediate Similarity	NPD1933	Approved
0.7097	Intermediate Similarity	NPD6599	Discontinued
0.7083	Intermediate Similarity	NPD259	Phase 1
0.7078	Intermediate Similarity	NPD1653	Approved
0.7075	Intermediate Similarity	NPD4308	Phase 3
0.7067	Intermediate Similarity	NPD1878	Clinical (unspecified phase)
0.7059	Intermediate Similarity	NPD1894	Discontinued
0.7051	Intermediate Similarity	NPD7411	Suspended
0.705	Intermediate Similarity	NPD3972	Approved
0.7032	Intermediate Similarity	NPD824	Approved
0.7027	Intermediate Similarity	NPD9570	Approved
0.702	Intermediate Similarity	NPD2309	Approved
0.7006	Intermediate Similarity	NPD6801	Discontinued
0.7006	Intermediate Similarity	NPD7808	Phase 3
0.7	Intermediate Similarity	NPD919	Approved
0.6993	Remote Similarity	NPD7410	Clinical (unspecified phase)
0.6992	Remote Similarity	NPD1202	Approved
0.698	Remote Similarity	NPD2355	Clinical (unspecified phase)
0.698	Remote Similarity	NPD2353	Approved
0.6978	Remote Similarity	NPD422	Phase 1
0.6978	Remote Similarity	NPD1281	Approved
0.6974	Remote Similarity	NPD7440	Discontinued
0.697	Remote Similarity	NPD9280	Clinical (unspecified phase)
0.6966	Remote Similarity	NPD6233	Phase 2
0.6957	Remote Similarity	NPD1778	Approved
0.6957	Remote Similarity	NPD5494	Approved
0.6946	Remote Similarity	NPD7039	Approved
0.6946	Remote Similarity	NPD7038	Approved
0.6944	Remote Similarity	NPD9537	Phase 1
0.6944	Remote Similarity	NPD9536	Phase 1
0.6944	Remote Similarity	NPD7095	Approved
0.694	Remote Similarity	NPD1241	Discontinued
0.6929	Remote Similarity	NPD1242	Phase 1
0.6923	Remote Similarity	NPD7458	Discontinued
0.6918	Remote Similarity	NPD1558	Phase 1
0.6913	Remote Similarity	NPD2796	Approved
0.6903	Remote Similarity	NPD920	Approved
0.6903	Remote Similarity	NPD5403	Approved
0.6901	Remote Similarity	NPD2797	Approved
0.6899	Remote Similarity	NPD164	Approved
0.6899	Remote Similarity	NPD37	Approved
0.6897	Remote Similarity	NPD3268	Approved
0.6897	Remote Similarity	NPD6798	Discontinued
0.6889	Remote Similarity	NPD690	Clinical (unspecified phase)
0.6889	Remote Similarity	NPD9281	Approved
0.6887	Remote Similarity	NPD1243	Approved
0.6885	Remote Similarity	NPD9256	Approved
0.6885	Remote Similarity	NPD9258	Approved
0.6883	Remote Similarity	NPD7004	Clinical (unspecified phase)
0.6883	Remote Similarity	NPD5401	Approved
0.6883	Remote Similarity	NPD642	Clinical (unspecified phase)
0.6875	Remote Similarity	NPD6832	Phase 2
0.6875	Remote Similarity	NPD4967	Phase 2
0.6875	Remote Similarity	NPD4966	Approved
0.6875	Remote Similarity	NPD7768	Phase 2
0.6875	Remote Similarity	NPD4965	Approved
0.6871	Remote Similarity	NPD275	Approved
0.6871	Remote Similarity	NPD6355	Discontinued
0.6871	Remote Similarity	NPD274	Approved
0.687	Remote Similarity	NPD1358	Approved
0.6867	Remote Similarity	NPD2343	Clinical (unspecified phase)
0.6855	Remote Similarity	NPD1006	Clinical (unspecified phase)
0.6853	Remote Similarity	NPD2798	Approved
0.6849	Remote Similarity	NPD4062	Phase 3
0.6842	Remote Similarity	NPD7003	Approved
0.6842	Remote Similarity	NPD4109	Clinical (unspecified phase)
0.6842	Remote Similarity	NPD6398	Clinical (unspecified phase)
0.6842	Remote Similarity	NPD8150	Discontinued
0.6842	Remote Similarity	NPD4110	Phase 3
0.6839	Remote Similarity	NPD9509	Clinical (unspecified phase)
0.6839	Remote Similarity	NPD6273	Approved
0.6831	Remote Similarity	NPD1876	Approved
0.6822	Remote Similarity	NPD9261	Approved
0.6818	Remote Similarity	NPD4357	Discontinued
0.6818	Remote Similarity	NPD2182	Approved
0.681	Remote Similarity	NPD2821	Approved
0.681	Remote Similarity	NPD1247	Approved
0.681	Remote Similarity	NPD7199	Phase 2

Structure

NPC94810 OpenBabel07101719142D 21 22 0 0 0 0 0 0 0 0999 V2000 3.4641 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3301 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8660 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3301 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4641 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1962 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8660 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1962 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7321 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0622 1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7321 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0622 -0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7321 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7321 -3.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 -1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 3 2 0 0 0 0 1 7 1 0 0 0 0 2 4 2 0 0 0 0 2 8 1 0 0 0 0 3 9 1 0 0 0 0 4 10 1 0 0 0 0 5 7 2 0 0 0 0 5 11 1 0 0 0 0 6 8 2 0 0 0 0 6 12 1 0 0 0 0 7 13 1 0 0 0 0 8 14 1 0 0 0 0 9 11 2 0 0 0 0 9 15 1 0 0 0 0 10 12 2 0 0 0 0 10 16 1 0 0 0 0 11 17 1 0 0 0 0 12 18 1 0 0 0 0 13 19 2 0 0 0 0 13 21 1 0 0 0 0 14 20 2 0 0 0 0 14 21 1 0 0 0 0 M END $$$$

External Identifiers

PubChem CID	25064624
ChEMBL	CHEMBL3233513
ZINC

Physicochemical Properties

Molecular Weight:	290.04
ALogP:	-2.0558
MLogP:	2.23
XLogP:	1.923
# Rotatable Bonds:	8
Polar Surface Area:	124.29
# H-Bond Aceptor:	3
# H-Bond Donor:	4
# Rings:	2
# Heavy Atoms:	21

Download Data

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