Natural Product: NPC328122

Natural Product ID:  NPC328122
Common Name:   Benzoylgomisin H
IUPAC Name:  
Synonyms:   Benzoylgomisin H
Molecular Formula:   C30H34O8
Standard InCHIKey:  AZQOQICAWOAGEN-UHFFFAOYSA-N
Standard InCHI:  InChI=1S/C30H34O8/c1-17-13-19-14-21(33-3)26(36-6)28(38-29(31)18-11-9-8-10-12-18)23(19)24-20(16-30(17,2)32)15-22(34-4)25(35-5)27(24)37-7/h8-12,14-15,17,32H,13,16H2,1-7H3
Canonical SMILES:  COc1c(OC)cc2c(c1OC(=O)c1ccccc1)c1c(cc(c(c1OC)OC)OC)CC(C(C2)C)(C)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
NPO8187 Schisandra chinensis Species Schisandraceae Eukaryota TCM_Taiwan*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT116 Cell Line HL-60 Homo sapiens IC50 = 41200 nM 16562834

  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 NPC328122 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
0.9675 High Similarity NPC249070
0.9423 High Similarity NPC42797
0.9363 High Similarity NPC291977
0.9299 High Similarity NPC473445
0.9267 High Similarity NPC137352
0.9267 High Similarity NPC183083
0.9245 High Similarity NPC83049
0.9245 High Similarity NPC118162
0.9245 High Similarity NPC320471
0.9068 High Similarity NPC79322
0.9012 High Similarity NPC88557
0.8994 High Similarity NPC319749
0.8963 High Similarity NPC477881
0.8961 High Similarity NPC477381
0.8951 High Similarity NPC311912
0.8938 High Similarity NPC280778
0.8903 High Similarity NPC477379
0.8889 High Similarity NPC295297
0.8875 High Similarity NPC258322
0.8875 High Similarity NPC191352
0.8854 High Similarity NPC473736
0.8841 High Similarity NPC477883
0.8831 High Similarity NPC477879
0.8827 High Similarity NPC477884
0.8802 High Similarity NPC477882
0.8802 High Similarity NPC477880
0.879 High Similarity NPC475141
0.879 High Similarity NPC149735
0.875 High Similarity NPC40702
0.875 High Similarity NPC267627
0.875 High Similarity NPC37502
0.8718 High Similarity NPC470916
0.8696 High Similarity NPC53889
0.8688 High Similarity NPC247713
0.8679 High Similarity NPC222185
0.8671 High Similarity NPC474656
0.8667 High Similarity NPC476279
0.8654 High Similarity NPC474347
0.8654 High Similarity NPC474393
0.865 High Similarity NPC67959
0.8634 High Similarity NPC87317
0.8625 High Similarity NPC474983
0.8625 High Similarity NPC54928
0.8625 High Similarity NPC473323
0.8614 High Similarity NPC180768
0.8608 High Similarity NPC272566
0.8589 High Similarity NPC476372
0.8589 High Similarity NPC476371
0.8581 High Similarity NPC287275
0.858 High Similarity NPC24164
0.8571 High Similarity NPC289322
0.8571 High Similarity NPC68324
0.8571 High Similarity NPC38779
0.8571 High Similarity NPC108456
0.8571 High Similarity NPC114179
0.8571 High Similarity NPC472963
0.8571 High Similarity NPC156818
0.8571 High Similarity NPC160512
0.8562 High Similarity NPC20541
0.8554 High Similarity NPC99613
0.8554 High Similarity NPC49487
0.8553 High Similarity NPC308739
0.8553 High Similarity NPC477377
0.8553 High Similarity NPC297271
0.8553 High Similarity NPC126405
0.8553 High Similarity NPC77237
0.8553 High Similarity NPC217708
0.8553 High Similarity NPC16791
0.8553 High Similarity NPC53669
0.8544 High Similarity NPC309979
0.8544 High Similarity NPC307780
0.8537 High Similarity NPC300984
0.8537 High Similarity NPC474350
0.8535 High Similarity NPC107636
0.8519 High Similarity NPC230531
0.8519 High Similarity NPC325122
0.8519 High Similarity NPC215400
0.8509 High Similarity NPC472907
0.8509 High Similarity NPC318432
0.8509 High Similarity NPC250436
0.8509 High Similarity NPC477380
0.8509 High Similarity NPC88803
0.8509 High Similarity NPC104983
0.8509 High Similarity NPC291948
0.8509 High Similarity NPC300845
0.85 High Similarity NPC473425
0.85 High Similarity NPC475895
0.85 High Similarity NPC178134
0.8494 Intermediate Similarity NPC234331
0.8491 Intermediate Similarity NPC476434
0.8491 Intermediate Similarity NPC477378
0.8491 Intermediate Similarity NPC228662
0.8491 Intermediate Similarity NPC475229
0.8485 Intermediate Similarity NPC142614
0.8485 Intermediate Similarity NPC267153
0.8481 Intermediate Similarity NPC474648
0.8481 Intermediate Similarity NPC473091
0.8476 Intermediate Similarity NPC472964
0.8476 Intermediate Similarity NPC108767
0.8471 Intermediate Similarity NPC12305
0.8471 Intermediate Similarity NPC139839
0.8466 Intermediate Similarity NPC476373
0.8466 Intermediate Similarity NPC24627
0.8466 Intermediate Similarity NPC301089
0.8462 Intermediate Similarity NPC131766
0.8457 Intermediate Similarity NPC477885
0.8457 Intermediate Similarity NPC143328
0.8452 Intermediate Similarity NPC158226
0.8452 Intermediate Similarity NPC469506
0.8447 Intermediate Similarity NPC286052
0.8447 Intermediate Similarity NPC292385
0.8447 Intermediate Similarity NPC471800
0.8447 Intermediate Similarity NPC125709
0.8447 Intermediate Similarity NPC255807
0.8447 Intermediate Similarity NPC31018
0.8438 Intermediate Similarity NPC24562
0.8438 Intermediate Similarity NPC199773
0.8434 Intermediate Similarity NPC29160
0.8434 Intermediate Similarity NPC43065
0.8434 Intermediate Similarity NPC174734
0.8434 Intermediate Similarity NPC474042
0.8428 Intermediate Similarity NPC224472
0.8424 Intermediate Similarity NPC477689
0.8424 Intermediate Similarity NPC284007
0.8421 Intermediate Similarity NPC865
0.8418 Intermediate Similarity NPC475848
0.8418 Intermediate Similarity NPC113790
0.8418 Intermediate Similarity NPC474306
0.8418 Intermediate Similarity NPC183236
0.8415 Intermediate Similarity NPC303565
0.8415 Intermediate Similarity NPC216916
0.8415 Intermediate Similarity NPC469889
0.8412 Intermediate Similarity NPC297574
0.8412 Intermediate Similarity NPC79736
0.8412 Intermediate Similarity NPC67629
0.8408 Intermediate Similarity NPC237208
0.8405 Intermediate Similarity NPC125713
0.8405 Intermediate Similarity NPC238381
0.8397 Intermediate Similarity NPC125617
0.8395 Intermediate Similarity NPC29727
0.8395 Intermediate Similarity NPC227062
0.8395 Intermediate Similarity NPC146211
0.8395 Intermediate Similarity NPC469474
0.8393 Intermediate Similarity NPC476365
0.8393 Intermediate Similarity NPC109827
0.8393 Intermediate Similarity NPC124470
0.8385 Intermediate Similarity NPC186507
0.8385 Intermediate Similarity NPC298802
0.8385 Intermediate Similarity NPC178195
0.8385 Intermediate Similarity NPC348849
0.8385 Intermediate Similarity NPC198461
0.8385 Intermediate Similarity NPC472905
0.8383 Intermediate Similarity NPC473818
0.8375 Intermediate Similarity NPC474170
0.8375 Intermediate Similarity NPC78505
0.8375 Intermediate Similarity NPC474388
0.8375 Intermediate Similarity NPC472535
0.8375 Intermediate Similarity NPC267091
0.8375 Intermediate Similarity NPC220577
0.8375 Intermediate Similarity NPC198615
0.8375 Intermediate Similarity NPC75695
0.8375 Intermediate Similarity NPC474663
0.8365 Intermediate Similarity NPC316989
0.8365 Intermediate Similarity NPC474305
0.8364 Intermediate Similarity NPC475144
0.8364 Intermediate Similarity NPC93739
0.8364 Intermediate Similarity NPC469512
0.8364 Intermediate Similarity NPC192258
0.8364 Intermediate Similarity NPC476200
0.8363 Intermediate Similarity NPC267549
0.8354 Intermediate Similarity NPC198129
0.8354 Intermediate Similarity NPC299436
0.8354 Intermediate Similarity NPC472902
0.8354 Intermediate Similarity NPC327352
0.8354 Intermediate Similarity NPC130955
0.8354 Intermediate Similarity NPC292415
0.8354 Intermediate Similarity NPC98892
0.8354 Intermediate Similarity NPC47623
0.8354 Intermediate Similarity NPC474770
0.8354 Intermediate Similarity NPC474960
0.8354 Intermediate Similarity NPC252281
0.8354 Intermediate Similarity NPC470511
0.8354 Intermediate Similarity NPC477375
0.8344 Intermediate Similarity NPC134621
0.8344 Intermediate Similarity NPC129684
0.8344 Intermediate Similarity NPC475592
0.8344 Intermediate Similarity NPC474054
0.8344 Intermediate Similarity NPC222689
0.8344 Intermediate Similarity NPC262282
0.8344 Intermediate Similarity NPC299520
0.8344 Intermediate Similarity NPC29577
0.8344 Intermediate Similarity NPC35598
0.8344 Intermediate Similarity NPC181960
0.8343 Intermediate Similarity NPC38438
0.8333 Intermediate Similarity NPC143092
0.8333 Intermediate Similarity NPC102256
0.8333 Intermediate Similarity NPC117911
0.8333 Intermediate Similarity NPC163130
0.8333 Intermediate Similarity NPC87883
0.8333 Intermediate Similarity NPC188079

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC328122 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
0.878 High Similarity NPD5844 Phase 1
0.8659 High Similarity NPD7473 Discontinued
0.8589 High Similarity NPD6232 Discontinued
0.8509 High Similarity NPD4868 Clinical (unspecified phase)
0.85 High Similarity NPD1465 Phase 2
0.8385 Intermediate Similarity NPD7819 Suspended
0.8333 Intermediate Similarity NPD3817 Phase 2
0.8303 Intermediate Similarity NPD7199 Phase 2
0.8239 Intermediate Similarity NPD6980 Clinical (unspecified phase)
0.8205 Intermediate Similarity NPD3750 Approved
0.8204 Intermediate Similarity NPD7184 Clinical (unspecified phase)
0.8117 Intermediate Similarity NPD3748 Approved
0.8098 Intermediate Similarity NPD37 Approved
0.8098 Intermediate Similarity NPD1934 Approved
0.8061 Intermediate Similarity NPD7768 Phase 2
0.8061 Intermediate Similarity NPD4967 Phase 2
0.8061 Intermediate Similarity NPD4965 Approved
0.8061 Intermediate Similarity NPD4966 Approved
0.8049 Intermediate Similarity NPD2801 Approved
0.8047 Intermediate Similarity NPD6168 Clinical (unspecified phase)
0.8047 Intermediate Similarity NPD6167 Clinical (unspecified phase)
0.8047 Intermediate Similarity NPD6166 Phase 2
0.8012 Intermediate Similarity NPD3749 Approved
0.7964 Intermediate Similarity NPD6234 Discontinued
0.7939 Intermediate Similarity NPD7096 Clinical (unspecified phase)
0.7939 Intermediate Similarity NPD2393 Clinical (unspecified phase)
0.7927 Intermediate Similarity NPD7411 Suspended
0.7919 Intermediate Similarity NPD7993 Clinical (unspecified phase)
0.7917 Intermediate Similarity NPD5494 Approved
0.7904 Intermediate Similarity NPD7075 Discontinued
0.787 Intermediate Similarity NPD8127 Discontinued
0.7862 Intermediate Similarity NPD6398 Clinical (unspecified phase)
0.7861 Intermediate Similarity NPD7074 Phase 3
0.7849 Intermediate Similarity NPD3818 Discontinued
0.7848 Intermediate Similarity NPD970 Clinical (unspecified phase)
0.7844 Intermediate Similarity NPD3882 Suspended
0.7843 Intermediate Similarity NPD6859 Clinical (unspecified phase)
0.7826 Intermediate Similarity NPD1511 Approved
0.7826 Intermediate Similarity NPD6799 Approved
0.7826 Intermediate Similarity NPD6143 Clinical (unspecified phase)
0.7824 Intermediate Similarity NPD7229 Phase 3
0.7806 Intermediate Similarity NPD447 Suspended
0.7805 Intermediate Similarity NPD5808 Clinical (unspecified phase)
0.7805 Intermediate Similarity NPD3226 Approved
0.7803 Intermediate Similarity NPD7054 Approved
0.7799 Intermediate Similarity NPD7421 Clinical (unspecified phase)
0.7784 Intermediate Similarity NPD8443 Clinical (unspecified phase)
0.7778 Intermediate Similarity NPD7410 Clinical (unspecified phase)
0.7778 Intermediate Similarity NPD3926 Phase 2
0.7765 Intermediate Similarity NPD8397 Clinical (unspecified phase)
0.7765 Intermediate Similarity NPD6959 Discontinued
0.7759 Intermediate Similarity NPD7472 Approved
0.7758 Intermediate Similarity NPD6599 Discontinued
0.7751 Intermediate Similarity NPD919 Approved
0.7746 Intermediate Similarity NPD7228 Approved
0.7733 Intermediate Similarity NPD7852 Clinical (unspecified phase)
0.773 Intermediate Similarity NPD1512 Approved
0.7679 Intermediate Similarity NPD5402 Approved
0.767 Intermediate Similarity NPD6559 Discontinued
0.7669 Intermediate Similarity NPD4378 Clinical (unspecified phase)
0.7665 Intermediate Similarity NPD6801 Discontinued
0.764 Intermediate Similarity NPD4628 Phase 3
0.764 Intermediate Similarity NPD7003 Approved
0.7632 Intermediate Similarity NPD2797 Approved
0.7627 Intermediate Similarity NPD4338 Clinical (unspecified phase)
0.7627 Intermediate Similarity NPD7549 Discontinued
0.7627 Intermediate Similarity NPD7808 Phase 3
0.7622 Intermediate Similarity NPD6273 Approved
0.7613 Intermediate Similarity NPD3764 Approved
0.761 Intermediate Similarity NPD2796 Approved
0.761 Intermediate Similarity NPD2935 Discontinued
0.7598 Intermediate Similarity NPD8055 Clinical (unspecified phase)
0.7597 Intermediate Similarity NPD6832 Phase 2
0.7588 Intermediate Similarity NPD4381 Clinical (unspecified phase)
0.758 Intermediate Similarity NPD1933 Approved
0.7576 Intermediate Similarity NPD5403 Approved
0.7571 Intermediate Similarity NPD7240 Approved
0.7571 Intermediate Similarity NPD7251 Discontinued
0.7562 Intermediate Similarity NPD2346 Discontinued
0.7561 Intermediate Similarity NPD5401 Approved
0.7561 Intermediate Similarity NPD7004 Clinical (unspecified phase)
0.7547 Intermediate Similarity NPD4308 Phase 3
0.7547 Intermediate Similarity NPD2799 Discontinued
0.7545 Intermediate Similarity NPD4380 Phase 2
0.753 Intermediate Similarity NPD1653 Approved
0.7516 Intermediate Similarity NPD1549 Phase 2
0.7515 Intermediate Similarity NPD8455 Phase 2
0.7515 Intermediate Similarity NPD1940 Clinical (unspecified phase)
0.7514 Intermediate Similarity NPD6797 Phase 2
0.75 Intermediate Similarity NPD1551 Phase 2
0.75 Intermediate Similarity NPD6100 Approved
0.75 Intermediate Similarity NPD3268 Approved
0.75 Intermediate Similarity NPD6798 Discontinued
0.75 Intermediate Similarity NPD6099 Approved
0.7486 Intermediate Similarity NPD8313 Approved
0.7486 Intermediate Similarity NPD8312 Approved
0.7484 Intermediate Similarity NPD1529 Clinical (unspecified phase)
0.7484 Intermediate Similarity NPD4908 Phase 1
0.7471 Intermediate Similarity NPD4288 Approved
0.7471 Intermediate Similarity NPD5242 Approved
0.7468 Intermediate Similarity NPD230 Phase 1
0.7468 Intermediate Similarity NPD6355 Discontinued
0.7459 Intermediate Similarity NPD8434 Phase 2
0.7455 Intermediate Similarity NPD2533 Approved
0.7455 Intermediate Similarity NPD2534 Approved
0.7455 Intermediate Similarity NPD2532 Approved
0.7453 Intermediate Similarity NPD1552 Clinical (unspecified phase)
0.7453 Intermediate Similarity NPD1550 Clinical (unspecified phase)
0.7438 Intermediate Similarity NPD1510 Phase 2
0.7436 Intermediate Similarity NPD7095 Approved
0.7434 Intermediate Similarity NPD1608 Approved
0.7419 Intermediate Similarity NPD1530 Clinical (unspecified phase)
0.7405 Intermediate Similarity NPD1612 Clinical (unspecified phase)
0.7405 Intermediate Similarity NPD1240 Approved
0.7405 Intermediate Similarity NPD1613 Approved
0.7405 Intermediate Similarity NPD4307 Phase 2
0.7389 Intermediate Similarity NPD4907 Clinical (unspecified phase)
0.7384 Intermediate Similarity NPD6971 Discontinued
0.7378 Intermediate Similarity NPD6190 Approved
0.7374 Intermediate Similarity NPD7685 Pre-registration
0.7374 Intermediate Similarity NPD7038 Approved
0.7374 Intermediate Similarity NPD7039 Approved
0.7368 Intermediate Similarity NPD5353 Approved
0.7365 Intermediate Similarity NPD920 Approved
0.7362 Intermediate Similarity NPD1243 Approved
0.7358 Intermediate Similarity NPD1899 Clinical (unspecified phase)
0.7356 Intermediate Similarity NPD1247 Approved
0.7346 Intermediate Similarity NPD2343 Clinical (unspecified phase)
0.7345 Intermediate Similarity NPD3751 Discontinued
0.7342 Intermediate Similarity NPD6233 Phase 2
0.7338 Intermediate Similarity NPD1283 Approved
0.7325 Intermediate Similarity NPD3027 Phase 3
0.7325 Intermediate Similarity NPD4625 Phase 3
0.7317 Intermediate Similarity NPD4110 Phase 3
0.7317 Intermediate Similarity NPD4109 Clinical (unspecified phase)
0.7314 Intermediate Similarity NPD3787 Discontinued
0.7312 Intermediate Similarity NPD1607 Approved
0.7303 Intermediate Similarity NPD7804 Clinical (unspecified phase)
0.7297 Intermediate Similarity NPD7879 Clinical (unspecified phase)
0.7296 Intermediate Similarity NPD4060 Phase 1
0.7294 Intermediate Similarity NPD6385 Approved
0.7294 Intermediate Similarity NPD7615 Clinical (unspecified phase)
0.7294 Intermediate Similarity NPD6386 Approved
0.729 Intermediate Similarity NPD3267 Approved
0.729 Intermediate Similarity NPD1203 Approved
0.729 Intermediate Similarity NPD3266 Approved
0.7284 Intermediate Similarity NPD2438 Suspended
0.7284 Intermediate Similarity NPD5408 Approved
0.7284 Intermediate Similarity NPD5404 Approved
0.7284 Intermediate Similarity NPD5405 Approved
0.7284 Intermediate Similarity NPD5406 Approved
0.7278 Intermediate Similarity NPD2313 Discontinued
0.7278 Intermediate Similarity NPD7458 Discontinued
0.7255 Intermediate Similarity NPD422 Phase 1
0.725 Intermediate Similarity NPD5124 Phase 1
0.725 Intermediate Similarity NPD5123 Clinical (unspecified phase)
0.7247 Intermediate Similarity NPD7177 Discontinued
0.7246 Intermediate Similarity NPD642 Clinical (unspecified phase)
0.7237 Intermediate Similarity NPD17 Approved
0.7233 Intermediate Similarity NPD8032 Phase 2
0.7229 Intermediate Similarity NPD643 Clinical (unspecified phase)
0.7211 Intermediate Similarity NPD7501 Clinical (unspecified phase)
0.7208 Intermediate Similarity NPD9717 Approved
0.7202 Intermediate Similarity NPD7314 Clinical (unspecified phase)
0.7197 Intermediate Similarity NPD3018 Phase 2
0.7188 Intermediate Similarity NPD2979 Phase 3
0.7186 Intermediate Similarity NPD7390 Discontinued
0.717 Intermediate Similarity NPD1296 Phase 2
0.716 Intermediate Similarity NPD7097 Phase 1
0.7158 Intermediate Similarity NPD7090 Clinical (unspecified phase)
0.7152 Intermediate Similarity NPD1652 Phase 2
0.7152 Intermediate Similarity NPD6674 Discontinued
0.7143 Intermediate Similarity NPD7422 Clinical (unspecified phase)
0.7143 Intermediate Similarity NPD1281 Approved
0.7143 Intermediate Similarity NPD1610 Phase 2
0.7134 Intermediate Similarity NPD2798 Approved
0.7126 Intermediate Similarity NPD7440 Discontinued
0.7115 Intermediate Similarity NPD3225 Approved
0.7108 Intermediate Similarity NPD1878 Clinical (unspecified phase)
0.7108 Intermediate Similarity NPD8166 Discontinued
0.7107 Intermediate Similarity NPD7783 Phase 2
0.7107 Intermediate Similarity NPD7782 Clinical (unspecified phase)
0.7102 Intermediate Similarity NPD6746 Phase 2
0.7097 Intermediate Similarity NPD4287 Approved
0.7093 Intermediate Similarity NPD6873 Phase 2
0.7092 Intermediate Similarity NPD8151 Discontinued
0.7081 Intermediate Similarity NPD943 Approved
0.7081 Intermediate Similarity NPD8150 Discontinued
0.7073 Intermediate Similarity NPD4477 Approved
0.7073 Intermediate Similarity NPD4476 Approved
0.7063 Intermediate Similarity NPD411 Approved
0.7051 Intermediate Similarity NPD4749 Approved
0.7051 Intermediate Similarity NPD2982 Phase 2
0.7051 Intermediate Similarity NPD4379 Clinical (unspecified phase)
0.7051 Intermediate Similarity NPD2983 Phase 2
0.7039 Intermediate Similarity NPD5536 Phase 2
0.7033 Intermediate Similarity NPD5953 Discontinued
0.703 Intermediate Similarity NPD2344 Approved
0.703 Intermediate Similarity NPD5762 Approved
0.703 Intermediate Similarity NPD7266 Discontinued

Structure

External Identifiers

PubChem CID   44575227
ChEMBL   CHEMBL519932
ZINC  

Physicochemical Properties

Molecular Weight:  522.23
ALogP:  0.12
MLogP:  3.88
XLogP:  5.347
# Rotatable Bonds:  16
Polar Surface Area:  92.68
# H-Bond Aceptor:  2
# H-Bond Donor:  1
# Rings:  4
# Heavy Atoms:  38

Download Data

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