Natural Product: NPC472337

Natural Product ID:  NPC472337
Common Name:   n.a.
IUPAC Name:  
Synonyms:  
Molecular Formula:   C21H22O5
Standard InCHIKey:  OBCZFFLHSKKTIO-YJTKHTMFSA-N
Standard InCHI:  InChI=1S/C21H22O5/c1-24-20-15-5-3-4-6-16(22)10-7-14-8-11-17(12-9-14)26-18(13-15)21(25-2)19(20)23/h3-6,8-9,11-13,16,22-23H,7,10H2,1-2H3/b5-3-,6-4+/t16-/m0/s1
Canonical SMILES:  COc1c2/C=CC=C[C@H](O)CCc3ccc(Oc(c2)c(c1O)OC)cc3
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
NPO12631 Corylus avellana Species Betulaceae Eukaryota PMID[25420236]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT621 Tissue Plasma Homo sapiens Inhibition = 35.5 % 25871261
NPT621 Tissue Plasma Homo sapiens Inhibition = 37.6 % 17958396

  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 NPC472337 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
0.9922 High Similarity NPC472334
0.9922 High Similarity NPC472336
0.9767 High Similarity NPC310854
0.9695 High Similarity NPC102904
0.9695 High Similarity NPC326797
0.9695 High Similarity NPC103976
0.9695 High Similarity NPC474282
0.9695 High Similarity NPC107551
0.9695 High Similarity NPC176051
0.969 High Similarity NPC475840
0.9688 High Similarity NPC472597
0.9624 High Similarity NPC471389
0.9618 High Similarity NPC16435
0.9618 High Similarity NPC306441
0.9612 High Similarity NPC184447
0.9612 High Similarity NPC16208
0.9612 High Similarity NPC7903
0.9612 High Similarity NPC35932
0.9612 High Similarity NPC160991
0.9609 High Similarity NPC214860
0.9609 High Similarity NPC472338
0.9549 High Similarity NPC254759
0.9549 High Similarity NPC160283
0.9545 High Similarity NPC276490
0.9542 High Similarity NPC47398
0.9542 High Similarity NPC260898
0.9542 High Similarity NPC470356
0.9542 High Similarity NPC112246
0.9542 High Similarity NPC474206
0.9542 High Similarity NPC61946
0.9542 High Similarity NPC121812
0.9542 High Similarity NPC112939
0.9542 High Similarity NPC134968
0.9542 High Similarity NPC94750
0.9542 High Similarity NPC234333
0.9538 High Similarity NPC229442
0.9538 High Similarity NPC168059
0.9531 High Similarity NPC10225
0.9531 High Similarity NPC273295
0.9531 High Similarity NPC470258
0.9531 High Similarity NPC190629
0.9531 High Similarity NPC285339
0.9531 High Similarity NPC58164
0.9531 High Similarity NPC226788
0.9531 High Similarity NPC218856
0.9531 High Similarity NPC202582
0.9531 High Similarity NPC45824
0.9531 High Similarity NPC222004
0.9531 High Similarity NPC210623
0.9531 High Similarity NPC3439
0.9481 High Similarity NPC477616
0.9478 High Similarity NPC311530
0.9474 High Similarity NPC319647
0.9474 High Similarity NPC292882
0.9474 High Similarity NPC25966
0.9474 High Similarity NPC245207
0.9474 High Similarity NPC127218
0.9474 High Similarity NPC471388
0.947 High Similarity NPC269091
0.947 High Similarity NPC230734
0.947 High Similarity NPC227503
0.947 High Similarity NPC474639
0.947 High Similarity NPC302701
0.9466 High Similarity NPC170694
0.9466 High Similarity NPC106215
0.9462 High Similarity NPC470752
0.9457 High Similarity NPC299221
0.9457 High Similarity NPC234488
0.9457 High Similarity NPC51840
0.9457 High Similarity NPC311680
0.9407 High Similarity NPC107161
0.9398 High Similarity NPC211549
0.9394 High Similarity NPC164787
0.9394 High Similarity NPC151224
0.9394 High Similarity NPC195022
0.9389 High Similarity NPC263064
0.9389 High Similarity NPC11060
0.9385 High Similarity NPC30043
0.9385 High Similarity NPC469625
0.9385 High Similarity NPC469613
0.9385 High Similarity NPC309787
0.9385 High Similarity NPC470095
0.9385 High Similarity NPC470096
0.938 High Similarity NPC212015
0.938 High Similarity NPC476968
0.938 High Similarity NPC170844
0.9375 High Similarity NPC319625
0.9375 High Similarity NPC183181
0.9375 High Similarity NPC474119
0.9375 High Similarity NPC41706
0.9375 High Similarity NPC292056
0.9375 High Similarity NPC216836
0.9375 High Similarity NPC147821
0.9375 High Similarity NPC118787
0.9375 High Similarity NPC210355
0.9375 High Similarity NPC163332
0.9375 High Similarity NPC111247
0.9333 High Similarity NPC263261
0.9333 High Similarity NPC247291
0.9333 High Similarity NPC87725
0.9323 High Similarity NPC476698
0.9323 High Similarity NPC162659
0.9323 High Similarity NPC265433
0.9323 High Similarity NPC173660
0.9323 High Similarity NPC248727
0.9323 High Similarity NPC270456
0.9323 High Similarity NPC470802
0.9318 High Similarity NPC317380
0.9313 High Similarity NPC261619
0.9313 High Similarity NPC201587
0.9313 High Similarity NPC61477
0.9313 High Similarity NPC219876
0.9313 High Similarity NPC253105
0.9313 High Similarity NPC15658
0.9313 High Similarity NPC86655
0.9313 High Similarity NPC6451
0.9313 High Similarity NPC78770
0.9313 High Similarity NPC202762
0.9313 High Similarity NPC185604
0.9313 High Similarity NPC127624
0.9313 High Similarity NPC126029
0.9308 High Similarity NPC469614
0.9308 High Similarity NPC469612
0.9308 High Similarity NPC91291
0.9308 High Similarity NPC220935
0.9302 High Similarity NPC470213
0.9302 High Similarity NPC206615
0.9302 High Similarity NPC98631
0.9302 High Similarity NPC186843
0.9302 High Similarity NPC266691
0.9297 High Similarity NPC223136
0.9297 High Similarity NPC178284
0.9297 High Similarity NPC103823
0.9297 High Similarity NPC58607
0.9297 High Similarity NPC44748
0.9297 High Similarity NPC18924
0.9297 High Similarity NPC191037
0.9297 High Similarity NPC28730
0.9297 High Similarity NPC214406
0.9297 High Similarity NPC78974
0.927 High Similarity NPC12641
0.927 High Similarity NPC280092
0.927 High Similarity NPC50250
0.927 High Similarity NPC45257
0.927 High Similarity NPC93323
0.9259 High Similarity NPC309124
0.9259 High Similarity NPC27495
0.9259 High Similarity NPC184797
0.9259 High Similarity NPC22317
0.9259 High Similarity NPC259519
0.9248 High Similarity NPC255147
0.9248 High Similarity NPC256262
0.9248 High Similarity NPC281521
0.9248 High Similarity NPC473413
0.9248 High Similarity NPC201357
0.9242 High Similarity NPC37196
0.9242 High Similarity NPC94236
0.9237 High Similarity NPC474356
0.9237 High Similarity NPC268342
0.9237 High Similarity NPC268266
0.9237 High Similarity NPC232275
0.9237 High Similarity NPC45715
0.9237 High Similarity NPC474017
0.9237 High Similarity NPC42760
0.9237 High Similarity NPC12275
0.9237 High Similarity NPC220825
0.9231 High Similarity NPC86030
0.9231 High Similarity NPC5851
0.9225 High Similarity NPC242032
0.9225 High Similarity NPC236791
0.9225 High Similarity NPC293054
0.9225 High Similarity NPC324112
0.9225 High Similarity NPC169474
0.9225 High Similarity NPC246620
0.9225 High Similarity NPC82679
0.9225 High Similarity NPC159968
0.9225 High Similarity NPC124452
0.9225 High Similarity NPC74817
0.9225 High Similarity NPC282000
0.9219 High Similarity NPC299584
0.9219 High Similarity NPC265483
0.9219 High Similarity NPC194519
0.9219 High Similarity NPC60885
0.9219 High Similarity NPC234400
0.9219 High Similarity NPC82483
0.9209 High Similarity NPC208507
0.9209 High Similarity NPC472333
0.9209 High Similarity NPC227902
0.9197 High Similarity NPC47633
0.9197 High Similarity NPC85264
0.9197 High Similarity NPC252169
0.9197 High Similarity NPC102044
0.9185 High Similarity NPC236306
0.9185 High Similarity NPC260741
0.9185 High Similarity NPC22517
0.9185 High Similarity NPC70682
0.9185 High Similarity NPC473739
0.9185 High Similarity NPC232164
0.9179 High Similarity NPC234952
0.9173 High Similarity NPC478085

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC472337 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
0.938 High Similarity NPD3027 Phase 3
0.9313 High Similarity NPD1613 Approved
0.9313 High Similarity NPD1612 Clinical (unspecified phase)
0.9008 High Similarity NPD1529 Clinical (unspecified phase)
0.8931 High Similarity NPD1530 Clinical (unspecified phase)
0.8425 Intermediate Similarity NPD1653 Approved
0.8389 Intermediate Similarity NPD2801 Approved
0.8322 Intermediate Similarity NPD1934 Approved
0.8309 Intermediate Similarity NPD4908 Phase 1
0.8308 Intermediate Similarity NPD1548 Phase 1
0.8235 Intermediate Similarity NPD2861 Phase 2
0.8235 Intermediate Similarity NPD3018 Phase 2
0.8195 Intermediate Similarity NPD1610 Phase 2
0.8188 Intermediate Similarity NPD4907 Clinical (unspecified phase)
0.8146 Intermediate Similarity NPD2393 Clinical (unspecified phase)
0.8074 Intermediate Similarity NPD2982 Phase 2
0.8074 Intermediate Similarity NPD2983 Phase 2
0.8047 Intermediate Similarity NPD228 Approved
0.8039 Intermediate Similarity NPD3882 Suspended
0.8025 Intermediate Similarity NPD6166 Phase 2
0.8025 Intermediate Similarity NPD6167 Clinical (unspecified phase)
0.8025 Intermediate Similarity NPD6168 Clinical (unspecified phase)
0.8 Intermediate Similarity NPD2981 Phase 2
0.7926 Intermediate Similarity NPD1091 Approved
0.7922 Intermediate Similarity NPD4868 Clinical (unspecified phase)
0.7905 Intermediate Similarity NPD1511 Approved
0.7875 Intermediate Similarity NPD7054 Approved
0.7857 Intermediate Similarity NPD4625 Phase 3
0.7826 Intermediate Similarity NPD7472 Approved
0.7826 Intermediate Similarity NPD7074 Phase 3
0.7817 Intermediate Similarity NPD1558 Phase 1
0.7812 Intermediate Similarity NPD3818 Discontinued
0.781 Intermediate Similarity NPD4749 Approved
0.781 Intermediate Similarity NPD4379 Clinical (unspecified phase)
0.7803 Intermediate Similarity NPD6671 Approved
0.7801 Intermediate Similarity NPD6859 Clinical (unspecified phase)
0.7801 Intermediate Similarity NPD6410 Clinical (unspecified phase)
0.78 Intermediate Similarity NPD1512 Approved
0.7791 Intermediate Similarity NPD4338 Clinical (unspecified phase)
0.7786 Intermediate Similarity NPD5283 Phase 1
0.7764 Intermediate Similarity NPD5844 Phase 1
0.7755 Intermediate Similarity NPD5698 Clinical (unspecified phase)
0.7742 Intermediate Similarity NPD3817 Phase 2
0.7734 Intermediate Similarity NPD290 Approved
0.7712 Intermediate Similarity NPD4678 Approved
0.7712 Intermediate Similarity NPD4675 Approved
0.7707 Intermediate Similarity NPD6234 Discontinued
0.7692 Intermediate Similarity NPD4060 Phase 1
0.7682 Intermediate Similarity NPD1940 Clinical (unspecified phase)
0.7674 Intermediate Similarity NPD2684 Approved
0.7669 Intermediate Similarity NPD6797 Phase 2
0.7664 Intermediate Similarity NPD422 Phase 1
0.7656 Intermediate Similarity NPD968 Approved
0.7635 Intermediate Similarity NPD1652 Phase 2
0.7635 Intermediate Similarity NPD6674 Discontinued
0.7622 Intermediate Similarity NPD7251 Discontinued
0.7619 Intermediate Similarity NPD7266 Discontinued
0.7619 Intermediate Similarity NPD3540 Phase 1
0.7613 Intermediate Similarity NPD37 Approved
0.761 Intermediate Similarity NPD7199 Phase 2
0.758 Intermediate Similarity NPD4966 Approved
0.758 Intermediate Similarity NPD4967 Phase 2
0.758 Intermediate Similarity NPD4965 Approved
0.7576 Intermediate Similarity NPD7808 Phase 3
0.7576 Intermediate Similarity NPD7843 Approved
0.7569 Intermediate Similarity NPD3619 Clinical (unspecified phase)
0.7569 Intermediate Similarity NPD3620 Phase 2
0.7551 Intermediate Similarity NPD3539 Phase 1
0.7547 Intermediate Similarity NPD5494 Approved
0.7537 Intermediate Similarity NPD7157 Approved
0.7536 Intermediate Similarity NPD3705 Approved
0.7534 Intermediate Similarity NPD4536 Approved
0.7534 Intermediate Similarity NPD4537 Clinical (unspecified phase)
0.7534 Intermediate Similarity NPD4538 Approved
0.7533 Intermediate Similarity NPD2677 Approved
0.7533 Intermediate Similarity NPD5307 Clinical (unspecified phase)
0.7532 Intermediate Similarity NPD7975 Clinical (unspecified phase)
0.7518 Intermediate Similarity NPD6917 Clinical (unspecified phase)
0.7517 Intermediate Similarity NPD3060 Approved
0.7516 Intermediate Similarity NPD5402 Approved
0.7516 Intermediate Similarity NPD6374 Clinical (unspecified phase)
0.75 Intermediate Similarity NPD6233 Phase 2
0.75 Intermediate Similarity NPD8651 Approved
0.7485 Intermediate Similarity NPD7228 Approved
0.7484 Intermediate Similarity NPD4380 Phase 2
0.7481 Intermediate Similarity NPD3021 Approved
0.7481 Intermediate Similarity NPD3022 Approved
0.7464 Intermediate Similarity NPD3496 Discontinued
0.7455 Intermediate Similarity NPD7993 Clinical (unspecified phase)
0.7445 Intermediate Similarity NPD1357 Approved
0.7434 Intermediate Similarity NPD7212 Phase 2
0.7434 Intermediate Similarity NPD7213 Phase 3
0.7421 Intermediate Similarity NPD4381 Clinical (unspecified phase)
0.7419 Intermediate Similarity NPD6055 Clinical (unspecified phase)
0.7417 Intermediate Similarity NPD6190 Approved
0.7407 Intermediate Similarity NPD7184 Clinical (unspecified phase)
0.74 Intermediate Similarity NPD5177 Phase 3
0.74 Intermediate Similarity NPD4162 Approved
0.74 Intermediate Similarity NPD4237 Approved
0.74 Intermediate Similarity NPD4236 Phase 3
0.7397 Intermediate Similarity NPD5124 Phase 1
0.7397 Intermediate Similarity NPD5123 Clinical (unspecified phase)
0.7386 Intermediate Similarity NPD7447 Phase 1
0.7386 Intermediate Similarity NPD4123 Phase 3
0.7386 Intermediate Similarity NPD4378 Clinical (unspecified phase)
0.7383 Intermediate Similarity NPD1550 Clinical (unspecified phase)
0.7383 Intermediate Similarity NPD1552 Clinical (unspecified phase)
0.7383 Intermediate Similarity NPD2029 Clinical (unspecified phase)
0.7365 Intermediate Similarity NPD5960 Phase 3
0.7365 Intermediate Similarity NPD7549 Discontinued
0.7365 Intermediate Similarity NPD5588 Approved
0.7351 Intermediate Similarity NPD3892 Phase 2
0.7344 Intermediate Similarity NPD291 Approved
0.7342 Intermediate Similarity NPD1465 Phase 2
0.7333 Intermediate Similarity NPD1549 Phase 2
0.732 Intermediate Similarity NPD6799 Approved
0.732 Intermediate Similarity NPD1774 Approved
0.732 Intermediate Similarity NPD4357 Discontinued
0.7312 Intermediate Similarity NPD7075 Discontinued
0.731 Intermediate Similarity NPD6798 Discontinued
0.7308 Intermediate Similarity NPD4005 Discontinued
0.7305 Intermediate Similarity NPD3600 Clinical (unspecified phase)
0.7299 Intermediate Similarity NPD5536 Phase 2
0.7292 Intermediate Similarity NPD5752 Clinical (unspecified phase)
0.7279 Intermediate Similarity NPD6355 Discontinued
0.7279 Intermediate Similarity NPD230 Phase 1
0.7273 Intermediate Similarity NPD6584 Phase 3
0.7267 Intermediate Similarity NPD5762 Approved
0.7267 Intermediate Similarity NPD5763 Approved
0.7266 Intermediate Similarity NPD1242 Phase 1
0.7266 Intermediate Similarity NPD5846 Approved
0.7266 Intermediate Similarity NPD6516 Phase 2
0.7255 Intermediate Similarity NPD5058 Phase 3
0.7254 Intermediate Similarity NPD6696 Suspended
0.7244 Intermediate Similarity NPD3687 Approved
0.7244 Intermediate Similarity NPD3686 Approved
0.7239 Intermediate Similarity NPD6232 Discontinued
0.7239 Intermediate Similarity NPD3787 Discontinued
0.7237 Intermediate Similarity NPD4628 Phase 3
0.7234 Intermediate Similarity NPD2231 Phase 2
0.7234 Intermediate Similarity NPD2235 Phase 2
0.7233 Intermediate Similarity NPD2977 Approved
0.7233 Intermediate Similarity NPD7096 Clinical (unspecified phase)
0.7233 Intermediate Similarity NPD2978 Approved
0.7219 Intermediate Similarity NPD2424 Discontinued
0.7211 Intermediate Similarity NPD2238 Phase 2
0.7209 Intermediate Similarity NPD940 Approved
0.7209 Intermediate Similarity NPD846 Approved
0.7202 Intermediate Similarity NPD6559 Discontinued
0.72 Intermediate Similarity NPD2796 Approved
0.72 Intermediate Similarity NPD6100 Approved
0.72 Intermediate Similarity NPD6099 Approved
0.72 Intermediate Similarity NPD2935 Discontinued
0.719 Intermediate Similarity NPD2219 Phase 1
0.7188 Intermediate Similarity NPD2563 Approved
0.7188 Intermediate Similarity NPD2560 Approved
0.7179 Intermediate Similarity NPD5403 Approved
0.7176 Intermediate Similarity NPD8053 Approved
0.7176 Intermediate Similarity NPD8054 Approved
0.717 Intermediate Similarity NPD6801 Discontinued
0.7162 Intermediate Similarity NPD5735 Approved
0.7152 Intermediate Similarity NPD1375 Discontinued
0.7143 Intermediate Similarity NPD2674 Phase 3
0.7143 Intermediate Similarity NPD1726 Clinical (unspecified phase)
0.7143 Intermediate Similarity NPD7124 Phase 2
0.7133 Intermediate Similarity NPD7033 Discontinued
0.7133 Intermediate Similarity NPD6028 Clinical (unspecified phase)
0.7133 Intermediate Similarity NPD6029 Clinical (unspecified phase)
0.7133 Intermediate Similarity NPD1510 Phase 2
0.7126 Intermediate Similarity NPD7804 Clinical (unspecified phase)
0.7125 Intermediate Similarity NPD5773 Approved
0.7125 Intermediate Similarity NPD5772 Approved
0.7124 Intermediate Similarity NPD6331 Phase 2
0.7124 Intermediate Similarity NPD3750 Approved
0.7124 Intermediate Similarity NPD4109 Clinical (unspecified phase)
0.7124 Intermediate Similarity NPD4110 Phase 3
0.7123 Intermediate Similarity NPD7095 Approved
0.7115 Intermediate Similarity NPD5261 Clinical (unspecified phase)
0.7114 Intermediate Similarity NPD6653 Approved
0.7108 Intermediate Similarity NPD7473 Discontinued
0.7107 Intermediate Similarity NPD7615 Clinical (unspecified phase)
0.7097 Intermediate Similarity NPD6143 Clinical (unspecified phase)
0.7095 Intermediate Similarity NPD1240 Approved
0.7093 Intermediate Similarity NPD4663 Approved
0.709 Intermediate Similarity NPD4750 Phase 3
0.7086 Intermediate Similarity NPD6032 Approved
0.7086 Intermediate Similarity NPD1551 Phase 2
0.7081 Intermediate Similarity NPD8443 Clinical (unspecified phase)
0.7073 Intermediate Similarity NPD1247 Approved
0.7066 Intermediate Similarity NPD3751 Discontinued
0.7063 Intermediate Similarity NPD6582 Phase 2
0.7063 Intermediate Similarity NPD6583 Phase 3
0.7055 Intermediate Similarity NPD596 Approved
0.7055 Intermediate Similarity NPD600 Approved
0.7052 Intermediate Similarity NPD7906 Approved
0.7051 Intermediate Similarity NPD5401 Approved
0.7051 Intermediate Similarity NPD7004 Clinical (unspecified phase)
0.7048 Intermediate Similarity NPD27 Approved
0.7048 Intermediate Similarity NPD2489 Approved
0.7047 Intermediate Similarity NPD447 Suspended

Structure

External Identifiers

PubChem CID  
ChEMBL   CHEMBL3359256
ZINC  

Physicochemical Properties

Molecular Weight:  354.15
ALogP:  -0.5187
MLogP:  3.22
XLogP:  3.571
# Rotatable Bonds:  6
Polar Surface Area:  68.15
# H-Bond Aceptor:  1
# H-Bond Donor:  2
# Rings:  2
# Heavy Atoms:  26

Download Data

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