Natural Product: NPC282957

Natural Product ID:  NPC282957
Common Name:   Pierotin A
IUPAC Name:   1-[3-[[2,4-dihydroxy-3-[3-(4-hydroxyphenyl)propanoyl]-6-methoxyphenyl]methyl]-2,6-dihydroxy-4-methoxyphenyl]-3-(4-hydroxyphenyl)propan-1-one
Synonyms:  
Molecular Formula:   C33H32O10
Standard InCHIKey:  FLBZSYKHHHOVLP-UHFFFAOYSA-N
Standard InCHI:  InChI=1S/C33H32O10/c1-42-28-16-26(38)30(24(36)13-7-18-3-9-20(34)10-4-18)32(40)22(28)15-23-29(43-2)17-27(39)31(33(23)41)25(37)14-8-19-5-11-21(35)12-6-19/h3-6,9-12,16-17,34-35,38-41H,7-8,13-15H2,1-2H3
Canonical SMILES:  COc1cc(O)c(c(c1Cc1c(OC)cc(c(c1O)C(=O)CCc1ccc(cc1)O)O)O)C(=O)CCc1ccc(cc1)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
NPO13961 Pieris japonica Species Ericaceae Eukaryota Leaves PMID[15787442]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT2 Others Unspecified Activity = 36.5 10'-3cpm 22275465
NPT2 Others Unspecified Activity = 32.7 10'-3cpm 22275465
NPT2 Others Unspecified Activity = 22.62 10'-3cpm 18955526
NPT2 Others Unspecified Activity = 38.13 10'-3cpm 18955526
NPT2 Others Unspecified Activity = 75.44 10'-3cpm 18955526
NPT2 Others Unspecified Activity = 74.98 10'-3cpm 18955526

  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 NPC282957 and all remaining natural products in the NPASS database.
●  The right table: Most similar natural products (Tc>=0.56 or Top200).

Similarity Score Similarity Level Natural Product ID
1.0 High Similarity NPC194949
0.9783 High Similarity NPC26238
0.9716 High Similarity NPC261271
0.9716 High Similarity NPC475348
0.9648 High Similarity NPC152233
0.9565 High Similarity NPC243528
0.9565 High Similarity NPC251681
0.9517 High Similarity NPC43345
0.9452 High Similarity NPC324447
0.9448 High Similarity NPC476552
0.9448 High Similarity NPC476553
0.9448 High Similarity NPC476551
0.9437 High Similarity NPC471524
0.9437 High Similarity NPC471473
0.9437 High Similarity NPC471523
0.9388 High Similarity NPC37253
0.9388 High Similarity NPC79375
0.9384 High Similarity NPC78324
0.9384 High Similarity NPC208011
0.9384 High Similarity NPC39154
0.9384 High Similarity NPC115601
0.9348 High Similarity NPC13575
0.931 High Similarity NPC3642
0.9281 High Similarity NPC12165
0.9281 High Similarity NPC98115
0.9281 High Similarity NPC249606
0.9281 High Similarity NPC41461
0.9281 High Similarity NPC25287
0.9281 High Similarity NPC477242
0.9281 High Similarity NPC150399
0.9281 High Similarity NPC1486
0.9281 High Similarity NPC477244
0.9281 High Similarity NPC274109
0.9281 High Similarity NPC168105
0.9281 High Similarity NPC66349
0.9281 High Similarity NPC477243
0.9281 High Similarity NPC186838
0.9275 High Similarity NPC103842
0.9262 High Similarity NPC208258
0.9262 High Similarity NPC257166
0.9262 High Similarity NPC1796
0.9257 High Similarity NPC265624
0.9257 High Similarity NPC121649
0.9257 High Similarity NPC215203
0.9257 High Similarity NPC205026
0.9257 High Similarity NPC150908
0.9257 High Similarity NPC186227
0.9257 High Similarity NPC248739
0.9257 High Similarity NPC14606
0.9257 High Similarity NPC158027
0.9257 High Similarity NPC52611
0.9257 High Similarity NPC100049
0.9257 High Similarity NPC159707
0.9241 High Similarity NPC122894
0.9236 High Similarity NPC470134
0.9236 High Similarity NPC109183
0.9236 High Similarity NPC470133
0.9236 High Similarity NPC473078
0.9236 High Similarity NPC470131
0.9236 High Similarity NPC470132
0.9236 High Similarity NPC228779
0.9225 High Similarity NPC14871
0.9214 High Similarity NPC317119
0.9214 High Similarity NPC153979
0.9214 High Similarity NPC472419
0.9209 High Similarity NPC131039
0.9209 High Similarity NPC156092
0.9203 High Similarity NPC204960
0.9203 High Similarity NPC16197
0.9203 High Similarity NPC20560
0.9203 High Similarity NPC144051
0.9203 High Similarity NPC82225
0.9203 High Similarity NPC28753
0.9203 High Similarity NPC18877
0.9203 High Similarity NPC294593
0.9203 High Similarity NPC159623
0.92 High Similarity NPC51247
0.92 High Similarity NPC15815
0.92 High Similarity NPC90497
0.9195 High Similarity NPC54830
0.9195 High Similarity NPC56049
0.9189 High Similarity NPC121568
0.9189 High Similarity NPC303485
0.9189 High Similarity NPC71061
0.9189 High Similarity NPC72425
0.9189 High Similarity NPC290830
0.9189 High Similarity NPC194593
0.9184 High Similarity NPC178484
0.9178 High Similarity NPC291746
0.9178 High Similarity NPC288840
0.9178 High Similarity NPC132345
0.9167 High Similarity NPC257236
0.9167 High Similarity NPC470136
0.9167 High Similarity NPC470135
0.9167 High Similarity NPC278175
0.9167 High Similarity NPC39045
0.9161 High Similarity NPC297600
0.9155 High Similarity NPC326109
0.9155 High Similarity NPC219917
0.9155 High Similarity NPC213659
0.9155 High Similarity NPC241100
0.9155 High Similarity NPC259166
0.9155 High Similarity NPC159275
0.9155 High Similarity NPC204985
0.9155 High Similarity NPC172250
0.9155 High Similarity NPC215311
0.9155 High Similarity NPC48624
0.9155 High Similarity NPC144118
0.9155 High Similarity NPC80962
0.9149 High Similarity NPC21350
0.9139 High Similarity NPC42965
0.9139 High Similarity NPC226462
0.9139 High Similarity NPC195136
0.9139 High Similarity NPC121647
0.9139 High Similarity NPC98023
0.9137 High Similarity NPC286336
0.913 High Similarity NPC215875
0.913 High Similarity NPC15834
0.9122 High Similarity NPC174086
0.9103 High Similarity NPC25844
0.9097 High Similarity NPC185276
0.9091 High Similarity NPC268204
0.9091 High Similarity NPC469404
0.9091 High Similarity NPC55832
0.9091 High Similarity NPC110969
0.9091 High Similarity NPC282300
0.9091 High Similarity NPC52789
0.9091 High Similarity NPC26051
0.9085 High Similarity NPC53181
0.9085 High Similarity NPC470211
0.9085 High Similarity NPC96565
0.9085 High Similarity NPC217186
0.9085 High Similarity NPC220062
0.9085 High Similarity NPC55018
0.9085 High Similarity NPC216978
0.9085 High Similarity NPC283429
0.9085 High Similarity NPC78913
0.9085 High Similarity NPC472366
0.9085 High Similarity NPC295384
0.9085 High Similarity NPC301217
0.9085 High Similarity NPC303633
0.9085 High Similarity NPC477956
0.9085 High Similarity NPC18260
0.9078 High Similarity NPC322301
0.9078 High Similarity NPC255801
0.9073 High Similarity NPC18699
0.9073 High Similarity NPC55443
0.9073 High Similarity NPC105584
0.9065 High Similarity NPC242294
0.9065 High Similarity NPC192304
0.9065 High Similarity NPC56031
0.9065 High Similarity NPC337373
0.9065 High Similarity NPC27643
0.9065 High Similarity NPC263670
0.9065 High Similarity NPC472365
0.9065 High Similarity NPC188646
0.9065 High Similarity NPC175098
0.9065 High Similarity NPC312318
0.9065 High Similarity NPC139813
0.9058 High Similarity NPC475009
0.9058 High Similarity NPC475008
0.9058 High Similarity NPC186097
0.9054 High Similarity NPC222713
0.9054 High Similarity NPC138299
0.9054 High Similarity NPC67322
0.9054 High Similarity NPC111112
0.9041 High Similarity NPC283234
0.9034 High Similarity NPC328623
0.9034 High Similarity NPC197252
0.9034 High Similarity NPC236766
0.9034 High Similarity NPC235217
0.9034 High Similarity NPC319752
0.9034 High Similarity NPC473014
0.9028 High Similarity NPC324436
0.9028 High Similarity NPC194432
0.9028 High Similarity NPC223500
0.9028 High Similarity NPC226636
0.9028 High Similarity NPC32739
0.9028 High Similarity NPC76372
0.9028 High Similarity NPC66515
0.9028 High Similarity NPC78803
0.9028 High Similarity NPC182852
0.9028 High Similarity NPC228504
0.9028 High Similarity NPC62840
0.9028 High Similarity NPC328164
0.9028 High Similarity NPC306829
0.9028 High Similarity NPC59739
0.9028 High Similarity NPC214236
0.9028 High Similarity NPC64915
0.9028 High Similarity NPC40833
0.9028 High Similarity NPC125855
0.9028 High Similarity NPC166934
0.9028 High Similarity NPC296917
0.9028 High Similarity NPC324134
0.9028 High Similarity NPC148757
0.9028 High Similarity NPC161506
0.9028 High Similarity NPC78
0.9028 High Similarity NPC166482
0.9028 High Similarity NPC293852
0.9028 High Similarity NPC37496

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC282957 and all drugs/candidates.
●  The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

Similarity Score Similarity Level Drug ID Developmental Stage
0.9167 High Similarity NPD7410 Clinical (unspecified phase)
0.9128 High Similarity NPD8443 Clinical (unspecified phase)
0.8926 High Similarity NPD7411 Suspended
0.8921 High Similarity NPD1240 Approved
0.8904 High Similarity NPD4378 Clinical (unspecified phase)
0.8816 High Similarity NPD7768 Phase 2
0.8803 High Similarity NPD1510 Phase 2
0.8794 High Similarity NPD1607 Approved
0.8782 High Similarity NPD7852 Clinical (unspecified phase)
0.8733 High Similarity NPD4380 Phase 2
0.8681 High Similarity NPD1552 Clinical (unspecified phase)
0.8681 High Similarity NPD1550 Clinical (unspecified phase)
0.8621 High Similarity NPD1549 Phase 2
0.859 High Similarity NPD6959 Discontinued
0.8562 High Similarity NPD7819 Suspended
0.8531 High Similarity NPD6651 Approved
0.8516 High Similarity NPD7075 Discontinued
0.8442 Intermediate Similarity NPD2393 Clinical (unspecified phase)
0.8375 Intermediate Similarity NPD7473 Discontinued
0.8356 Intermediate Similarity NPD2796 Approved
0.8333 Intermediate Similarity NPD7390 Discontinued
0.8323 Intermediate Similarity NPD7096 Clinical (unspecified phase)
0.8311 Intermediate Similarity NPD7421 Clinical (unspecified phase)
0.8302 Intermediate Similarity NPD6232 Discontinued
0.8272 Intermediate Similarity NPD7804 Clinical (unspecified phase)
0.8258 Intermediate Similarity NPD6801 Discontinued
0.8199 Intermediate Similarity NPD6168 Clinical (unspecified phase)
0.8199 Intermediate Similarity NPD6167 Clinical (unspecified phase)
0.8199 Intermediate Similarity NPD6166 Phase 2
0.8165 Intermediate Similarity NPD3749 Approved
0.8165 Intermediate Similarity NPD4381 Clinical (unspecified phase)
0.8141 Intermediate Similarity NPD1934 Approved
0.8108 Intermediate Similarity NPD2935 Discontinued
0.8092 Intermediate Similarity NPD6799 Approved
0.8092 Intermediate Similarity NPD1511 Approved
0.8089 Intermediate Similarity NPD2801 Approved
0.8013 Intermediate Similarity NPD3750 Approved
0.8 Intermediate Similarity NPD970 Clinical (unspecified phase)
0.8 Intermediate Similarity NPD6859 Clinical (unspecified phase)
0.7987 Intermediate Similarity NPD1512 Approved
0.7947 Intermediate Similarity NPD2800 Approved
0.7919 Intermediate Similarity NPD1509 Clinical (unspecified phase)
0.7898 Intermediate Similarity NPD6599 Discontinued
0.7892 Intermediate Similarity NPD7074 Phase 3
0.7877 Intermediate Similarity NPD4907 Clinical (unspecified phase)
0.7875 Intermediate Similarity NPD3882 Suspended
0.7875 Intermediate Similarity NPD4868 Clinical (unspecified phase)
0.7831 Intermediate Similarity NPD7054 Approved
0.7821 Intermediate Similarity NPD5403 Approved
0.7812 Intermediate Similarity NPD3817 Phase 2
0.7806 Intermediate Similarity NPD2533 Approved
0.7806 Intermediate Similarity NPD2532 Approved
0.7806 Intermediate Similarity NPD2534 Approved
0.7784 Intermediate Similarity NPD7472 Approved
0.7778 Intermediate Similarity NPD1878 Clinical (unspecified phase)
0.7751 Intermediate Similarity NPD7808 Phase 3
0.7748 Intermediate Similarity NPD5404 Approved
0.7748 Intermediate Similarity NPD1551 Phase 2
0.7748 Intermediate Similarity NPD5408 Approved
0.7748 Intermediate Similarity NPD5405 Approved
0.7748 Intermediate Similarity NPD5406 Approved
0.774 Intermediate Similarity NPD4908 Phase 1
0.7738 Intermediate Similarity NPD5953 Discontinued
0.7738 Intermediate Similarity NPD7993 Clinical (unspecified phase)
0.773 Intermediate Similarity NPD5494 Approved
0.7727 Intermediate Similarity NPD8090 Clinical (unspecified phase)
0.7725 Intermediate Similarity NPD7286 Phase 2
0.7722 Intermediate Similarity NPD7458 Discontinued
0.7712 Intermediate Similarity NPD1243 Approved
0.7707 Intermediate Similarity NPD6980 Clinical (unspecified phase)
0.7697 Intermediate Similarity NPD2344 Approved
0.7692 Intermediate Similarity NPD6559 Discontinued
0.7692 Intermediate Similarity NPD5401 Approved
0.7692 Intermediate Similarity NPD7251 Discontinued
0.7682 Intermediate Similarity NPD3748 Approved
0.7682 Intermediate Similarity NPD2799 Discontinued
0.7665 Intermediate Similarity NPD3818 Discontinued
0.7662 Intermediate Similarity NPD7003 Approved
0.7651 Intermediate Similarity NPD943 Approved
0.7647 Intermediate Similarity NPD4419 Clinical (unspecified phase)
0.7633 Intermediate Similarity NPD6797 Phase 2
0.7619 Intermediate Similarity NPD5844 Phase 1
0.7619 Intermediate Similarity NPD6832 Phase 2
0.761 Intermediate Similarity NPD3226 Approved
0.7603 Intermediate Similarity NPD2798 Approved
0.76 Intermediate Similarity NPD7879 Clinical (unspecified phase)
0.7597 Intermediate Similarity NPD2654 Approved
0.7595 Intermediate Similarity NPD920 Approved
0.7586 Intermediate Similarity NPD8397 Clinical (unspecified phase)
0.7564 Intermediate Similarity NPD643 Clinical (unspecified phase)
0.7534 Intermediate Similarity NPD1203 Approved
0.7517 Intermediate Similarity NPD2313 Discontinued
0.7516 Intermediate Similarity NPD6099 Approved
0.7516 Intermediate Similarity NPD6100 Approved
0.75 Intermediate Similarity NPD2309 Approved
0.75 Intermediate Similarity NPD8312 Approved
0.75 Intermediate Similarity NPD8313 Approved
0.7485 Intermediate Similarity NPD5402 Approved
0.7468 Intermediate Similarity NPD642 Clinical (unspecified phase)
0.7448 Intermediate Similarity NPD3972 Approved
0.7442 Intermediate Similarity NPD4338 Clinical (unspecified phase)
0.7423 Intermediate Similarity NPD8455 Phase 2
0.74 Intermediate Similarity NPD3268 Approved
0.7381 Intermediate Similarity NPD3926 Phase 2
0.7379 Intermediate Similarity NPD1201 Approved
0.7379 Intermediate Similarity NPD1547 Clinical (unspecified phase)
0.7358 Intermediate Similarity NPD7422 Clinical (unspecified phase)
0.7343 Intermediate Similarity NPD1548 Phase 1
0.7338 Intermediate Similarity NPD7033 Discontinued
0.7329 Intermediate Similarity NPD9717 Approved
0.7325 Intermediate Similarity NPD6398 Clinical (unspecified phase)
0.7325 Intermediate Similarity NPD4628 Phase 3
0.7324 Intermediate Similarity NPD9493 Approved
0.7318 Intermediate Similarity NPD4360 Phase 2
0.7318 Intermediate Similarity NPD4363 Phase 3
0.7301 Intermediate Similarity NPD7615 Clinical (unspecified phase)
0.7297 Intermediate Similarity NPD2797 Approved
0.7297 Intermediate Similarity NPD1470 Approved
0.7296 Intermediate Similarity NPD6143 Clinical (unspecified phase)
0.7285 Intermediate Similarity NPD3764 Approved
0.7273 Intermediate Similarity NPD8151 Discontinued
0.726 Intermediate Similarity NPD1610 Phase 2
0.726 Intermediate Similarity NPD422 Phase 1
0.7255 Intermediate Similarity NPD5124 Phase 1
0.7255 Intermediate Similarity NPD5123 Clinical (unspecified phase)
0.725 Intermediate Similarity NPD7004 Clinical (unspecified phase)
0.7246 Intermediate Similarity NPD919 Approved
0.7244 Intermediate Similarity NPD2346 Discontinued
0.7243 Intermediate Similarity NPD7870 Phase 2
0.7243 Intermediate Similarity NPD7871 Phase 2
0.723 Intermediate Similarity NPD3225 Approved
0.7222 Intermediate Similarity NPD9545 Approved
0.7219 Intermediate Similarity NPD7229 Phase 3
0.7219 Intermediate Similarity NPD5711 Approved
0.7219 Intermediate Similarity NPD5710 Approved
0.7212 Intermediate Similarity NPD1465 Phase 2
0.7191 Intermediate Similarity NPD4287 Approved
0.7189 Intermediate Similarity NPD7697 Approved
0.7189 Intermediate Similarity NPD7698 Approved
0.7189 Intermediate Similarity NPD7696 Phase 3
0.7182 Intermediate Similarity NPD4361 Phase 2
0.7182 Intermediate Similarity NPD4362 Clinical (unspecified phase)
0.7181 Intermediate Similarity NPD1164 Approved
0.7178 Intermediate Similarity NPD5808 Clinical (unspecified phase)
0.7171 Intermediate Similarity NPD6798 Discontinued
0.7168 Intermediate Similarity NPD1729 Discontinued
0.716 Intermediate Similarity NPD1247 Approved
0.7151 Intermediate Similarity NPD7177 Discontinued
0.7135 Intermediate Similarity NPD7784 Clinical (unspecified phase)
0.712 Intermediate Similarity NPD6780 Approved
0.712 Intermediate Similarity NPD6778 Approved
0.712 Intermediate Similarity NPD6782 Approved
0.712 Intermediate Similarity NPD6777 Approved
0.712 Intermediate Similarity NPD7501 Clinical (unspecified phase)
0.712 Intermediate Similarity NPD6781 Approved
0.712 Intermediate Similarity NPD6776 Approved
0.712 Intermediate Similarity NPD6779 Approved
0.7115 Intermediate Similarity NPD4308 Phase 3
0.7105 Intermediate Similarity NPD4625 Phase 3
0.7097 Intermediate Similarity NPD7435 Discontinued
0.7079 Intermediate Similarity NPD8150 Discontinued
0.7074 Intermediate Similarity NPD7584 Approved
0.7067 Intermediate Similarity NPD3266 Approved
0.7067 Intermediate Similarity NPD3267 Approved
0.7066 Intermediate Similarity NPD4288 Approved
0.7059 Intermediate Similarity NPD7199 Phase 2
0.7055 Intermediate Similarity NPD4196 Clinical (unspecified phase)
0.7052 Intermediate Similarity NPD7893 Clinical (unspecified phase)
0.7048 Intermediate Similarity NPD37 Approved
0.7048 Intermediate Similarity NPD7577 Discontinued
0.7037 Intermediate Similarity NPD7447 Phase 1
0.7037 Intermediate Similarity NPD7701 Phase 2
0.7032 Intermediate Similarity NPD230 Phase 1
0.7032 Intermediate Similarity NPD1933 Approved
0.7022 Intermediate Similarity NPD8055 Clinical (unspecified phase)
0.7006 Intermediate Similarity NPD651 Clinical (unspecified phase)
0.7 Intermediate Similarity NPD1876 Approved
0.6993 Remote Similarity NPD3027 Phase 3
0.6989 Remote Similarity NPD6104 Discontinued
0.6988 Remote Similarity NPD5890 Approved
0.6988 Remote Similarity NPD5889 Approved
0.698 Remote Similarity NPD1608 Approved
0.6977 Remote Similarity NPD7184 Clinical (unspecified phase)
0.6975 Remote Similarity NPD7212 Phase 2
0.6975 Remote Similarity NPD7213 Phase 3
0.6964 Remote Similarity NPD2296 Approved
0.6963 Remote Similarity NPD7875 Clinical (unspecified phase)
0.6963 Remote Similarity NPD7874 Approved
0.6952 Remote Similarity NPD6823 Phase 2
0.6948 Remote Similarity NPD1296 Phase 2
0.6941 Remote Similarity NPD6234 Discontinued
0.6939 Remote Similarity NPD1651 Approved
0.6928 Remote Similarity NPD6585 Discontinued
0.6928 Remote Similarity NPD1529 Clinical (unspecified phase)
0.6927 Remote Similarity NPD7782 Clinical (unspecified phase)
0.6927 Remote Similarity NPD7801 Approved
0.6927 Remote Similarity NPD7783 Phase 2
0.6923 Remote Similarity NPD4966 Approved
0.6923 Remote Similarity NPD4965 Approved
0.6923 Remote Similarity NPD1899 Clinical (unspecified phase)

Structure

External Identifiers

PubChem CID   11192582
ChEMBL   CHEMBL451422
ZINC  

Physicochemical Properties

Molecular Weight:  588.20
ALogP:  -2.7424
MLogP:  3.99
XLogP:  4.52
# Rotatable Bonds:  20
Polar Surface Area:  173.98
# H-Bond Aceptor:  2
# H-Bond Donor:  6
# Rings:  4
# Heavy Atoms:  43

Download Data

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