Natural Product: NPC476210

Natural Product ID:  NPC476210
Common Name:   n.a.
IUPAC Name:  
Synonyms:  
Molecular Formula:   C38H46O9
Standard InCHIKey:  LJUARHDVFLLQMF-KELXBUOKSA-N
Standard InCHI:  InChI=1S/C38H46O9/c1-19(2)10-9-15-36(8)16-14-22-28(39)26-30(41)27-29(40)24-18-25-35(6,7)47-37(33(24)42,17-13-21(5)34(43)44)38(25,27)46-32(26)23(31(22)45-36)12-11-20(3)4/h10-11,13-14,16,24-25,27,29,39-40H,9,12,15,17-18H2,1-8H3,(H,43,44)/b21-13-/t24-,25-,27?,29?,36?,37-,38-/m0/s1
Canonical SMILES:  CC(=CCc1c2O[C@]34C(C(=O)c2c(c2c1OC(C)(CCC=C(C)C)C=C2)O)C(O)[C@@H]1C[C@H]3C(O[C@@]4(C/C=C(C(=O)O)/C)C1=O)(C)C)C
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
NPO13310 Garcinia hanburyi Species Clusiaceae Eukaryota resin PMID[19072548]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT165 Cell Line HeLa Homo sapiens IC50 = 640 nM PubChem BioAssay data set
NPT165 Cell Line HeLa Homo sapiens IC50 = 630 nM PubChem BioAssay data set

  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 NPC476210 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 NPC476199
0.9817 High Similarity NPC476311
0.9697 High Similarity NPC476152
0.9695 High Similarity NPC476196
0.9583 High Similarity NPC473729
0.9578 High Similarity NPC476229
0.9518 High Similarity NPC476159
0.9515 High Similarity NPC102810
0.9515 High Similarity NPC158329
0.9515 High Similarity NPC40089
0.9515 High Similarity NPC476146
0.9467 High Similarity NPC473607
0.9461 High Similarity NPC476139
0.9405 High Similarity NPC162248
0.9398 High Similarity NPC63514
0.9398 High Similarity NPC75141
0.9398 High Similarity NPC47634
0.9398 High Similarity NPC55422
0.9398 High Similarity NPC41598
0.9349 High Similarity NPC227275
0.9337 High Similarity NPC223413
0.9294 High Similarity NPC233978
0.9281 High Similarity NPC476216
0.9217 High Similarity NPC189689
0.9172 High Similarity NPC118128
0.9157 High Similarity NPC131578
0.9123 High Similarity NPC98943
0.9064 High Similarity NPC475398
0.9059 High Similarity NPC169018
0.8976 High Similarity NPC286422
0.8935 High Similarity NPC476255
0.8935 High Similarity NPC62444
0.8857 High Similarity NPC208069
0.8837 High Similarity NPC477529
0.8817 High Similarity NPC476931
0.8793 High Similarity NPC469345
0.8786 High Similarity NPC469393
0.8786 High Similarity NPC475080
0.8779 High Similarity NPC193698
0.8772 High Similarity NPC193222
0.8765 High Similarity NPC473908
0.8757 High Similarity NPC106700
0.8757 High Similarity NPC94796
0.8736 High Similarity NPC232412
0.8736 High Similarity NPC86809
0.8736 High Similarity NPC294149
0.8736 High Similarity NPC98667
0.8721 High Similarity NPC286074
0.8721 High Similarity NPC54903
0.8713 High Similarity NPC476056
0.8701 High Similarity NPC475148
0.8701 High Similarity NPC475656
0.8698 High Similarity NPC476929
0.8671 High Similarity NPC251144
0.8671 High Similarity NPC241387
0.8659 High Similarity NPC282636
0.8659 High Similarity NPC294863
0.8639 High Similarity NPC43490
0.8639 High Similarity NPC475107
0.8631 High Similarity NPC476930
0.8621 High Similarity NPC472620
0.8613 High Similarity NPC207574
0.8613 High Similarity NPC291795
0.8613 High Similarity NPC297195
0.8613 High Similarity NPC217378
0.8605 High Similarity NPC17274
0.8605 High Similarity NPC85047
0.8605 High Similarity NPC469394
0.8605 High Similarity NPC120857
0.8596 High Similarity NPC469395
0.8588 High Similarity NPC244903
0.8588 High Similarity NPC97812
0.8588 High Similarity NPC92589
0.8588 High Similarity NPC472346
0.858 High Similarity NPC324220
0.858 High Similarity NPC125969
0.858 High Similarity NPC312630
0.8579 High Similarity NPC282474
0.8579 High Similarity NPC316274
0.8579 High Similarity NPC470196
0.8579 High Similarity NPC470198
0.8579 High Similarity NPC470193
0.8579 High Similarity NPC470194
0.8579 High Similarity NPC470195
0.8579 High Similarity NPC470197
0.8579 High Similarity NPC470200
0.8571 High Similarity NPC164427
0.8571 High Similarity NPC73899
0.8571 High Similarity NPC474276
0.8571 High Similarity NPC17105
0.8571 High Similarity NPC147363
0.8564 High Similarity NPC314672
0.8555 High Similarity NPC472622
0.8554 High Similarity NPC476162
0.8538 High Similarity NPC475106
0.8531 High Similarity NPC477683
0.8531 High Similarity NPC477682
0.8529 High Similarity NPC472055
0.8525 High Similarity NPC314020
0.8514 High Similarity NPC473113
0.8514 High Similarity NPC121333
0.8506 High Similarity NPC473095
0.8506 High Similarity NPC20734
0.8506 High Similarity NPC472619
0.8506 High Similarity NPC473096
0.85 High Similarity NPC197972
0.8497 Intermediate Similarity NPC472621
0.8497 Intermediate Similarity NPC13481
0.8497 Intermediate Similarity NPC207575
0.8497 Intermediate Similarity NPC475109
0.8497 Intermediate Similarity NPC82330
0.8494 Intermediate Similarity NPC476509
0.8494 Intermediate Similarity NPC321387
0.8494 Intermediate Similarity NPC327059
0.8494 Intermediate Similarity NPC470908
0.8492 Intermediate Similarity NPC313452
0.8492 Intermediate Similarity NPC182693
0.8488 Intermediate Similarity NPC473009
0.8485 Intermediate Similarity NPC472345
0.8471 Intermediate Similarity NPC470339
0.847 Intermediate Similarity NPC470199
0.847 Intermediate Similarity NPC314459
0.8462 Intermediate Similarity NPC321372
0.8462 Intermediate Similarity NPC295436
0.8462 Intermediate Similarity NPC474609
0.8462 Intermediate Similarity NPC10754
0.8462 Intermediate Similarity NPC475797
0.8462 Intermediate Similarity NPC477674
0.8462 Intermediate Similarity NPC469936
0.8462 Intermediate Similarity NPC78554
0.8462 Intermediate Similarity NPC20530
0.8462 Intermediate Similarity NPC474738
0.8462 Intermediate Similarity NPC129053
0.8462 Intermediate Similarity NPC109967
0.8462 Intermediate Similarity NPC215917
0.8457 Intermediate Similarity NPC102277
0.8457 Intermediate Similarity NPC279209
0.8457 Intermediate Similarity NPC315306
0.8457 Intermediate Similarity NPC76047
0.8457 Intermediate Similarity NPC313717
0.8453 Intermediate Similarity NPC174486
0.8452 Intermediate Similarity NPC311579
0.8452 Intermediate Similarity NPC248793
0.8452 Intermediate Similarity NPC180301
0.8452 Intermediate Similarity NPC236756
0.8448 Intermediate Similarity NPC76647
0.8448 Intermediate Similarity NPC150131
0.8448 Intermediate Similarity NPC473094
0.8448 Intermediate Similarity NPC292233
0.8448 Intermediate Similarity NPC260266
0.8441 Intermediate Similarity NPC131405
0.8439 Intermediate Similarity NPC472049
0.8439 Intermediate Similarity NPC473010
0.8436 Intermediate Similarity NPC315221
0.8436 Intermediate Similarity NPC6709
0.8436 Intermediate Similarity NPC475161
0.8436 Intermediate Similarity NPC477860
0.843 Intermediate Similarity NPC472402
0.843 Intermediate Similarity NPC473012
0.8427 Intermediate Similarity NPC207467
0.8424 Intermediate Similarity NPC474108
0.8424 Intermediate Similarity NPC177995
0.8421 Intermediate Similarity NPC172687
0.8421 Intermediate Similarity NPC306978
0.8421 Intermediate Similarity NPC243701
0.8418 Intermediate Similarity NPC474345
0.8412 Intermediate Similarity NPC318527
0.8412 Intermediate Similarity NPC282390
0.8412 Intermediate Similarity NPC324358
0.8412 Intermediate Similarity NPC281137
0.8412 Intermediate Similarity NPC323627
0.8412 Intermediate Similarity NPC322459
0.8409 Intermediate Similarity NPC212038
0.8409 Intermediate Similarity NPC271848
0.8409 Intermediate Similarity NPC81332
0.8409 Intermediate Similarity NPC262580
0.8409 Intermediate Similarity NPC475669
0.8409 Intermediate Similarity NPC289396
0.8402 Intermediate Similarity NPC469934
0.8402 Intermediate Similarity NPC477687
0.8402 Intermediate Similarity NPC259710
0.8402 Intermediate Similarity NPC279218
0.8402 Intermediate Similarity NPC111341
0.8402 Intermediate Similarity NPC476169
0.8402 Intermediate Similarity NPC108937
0.8402 Intermediate Similarity NPC207809
0.8402 Intermediate Similarity NPC477671
0.8402 Intermediate Similarity NPC304207
0.8402 Intermediate Similarity NPC217706
0.8402 Intermediate Similarity NPC304745
0.8402 Intermediate Similarity NPC48579
0.84 Intermediate Similarity NPC242395
0.84 Intermediate Similarity NPC177480
0.84 Intermediate Similarity NPC5319
0.84 Intermediate Similarity NPC152477
0.8393 Intermediate Similarity NPC256141
0.8391 Intermediate Similarity NPC471823
0.8391 Intermediate Similarity NPC120593
0.8391 Intermediate Similarity NPC323137
0.8391 Intermediate Similarity NPC251336

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC476210 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
0.8521 High Similarity NPD7075 Discontinued
0.8402 Intermediate Similarity NPD8443 Clinical (unspecified phase)
0.84 Intermediate Similarity NPD7804 Clinical (unspecified phase)
0.8352 Intermediate Similarity NPD7879 Clinical (unspecified phase)
0.8343 Intermediate Similarity NPD7096 Clinical (unspecified phase)
0.8284 Intermediate Similarity NPD6801 Discontinued
0.8235 Intermediate Similarity NPD7819 Suspended
0.8229 Intermediate Similarity NPD7852 Clinical (unspecified phase)
0.8225 Intermediate Similarity NPD7411 Suspended
0.8166 Intermediate Similarity NPD4380 Phase 2
0.8132 Intermediate Similarity NPD8434 Phase 2
0.8125 Intermediate Similarity NPD6168 Clinical (unspecified phase)
0.8125 Intermediate Similarity NPD6167 Clinical (unspecified phase)
0.8125 Intermediate Similarity NPD6166 Phase 2
0.8111 Intermediate Similarity NPD7808 Phase 3
0.8111 Intermediate Similarity NPD4338 Clinical (unspecified phase)
0.8103 Intermediate Similarity NPD5494 Approved
0.809 Intermediate Similarity NPD5844 Phase 1
0.8084 Intermediate Similarity NPD2532 Approved
0.8084 Intermediate Similarity NPD2533 Approved
0.8084 Intermediate Similarity NPD2534 Approved
0.8081 Intermediate Similarity NPD5402 Approved
0.8079 Intermediate Similarity NPD7473 Discontinued
0.8056 Intermediate Similarity NPD7251 Discontinued
0.8033 Intermediate Similarity NPD8150 Discontinued
0.8 Intermediate Similarity NPD7993 Clinical (unspecified phase)
0.8 Intermediate Similarity NPD6797 Phase 2
0.7989 Intermediate Similarity NPD4381 Clinical (unspecified phase)
0.7978 Intermediate Similarity NPD8055 Clinical (unspecified phase)
0.7977 Intermediate Similarity NPD3817 Phase 2
0.7976 Intermediate Similarity NPD7410 Clinical (unspecified phase)
0.7976 Intermediate Similarity NPD4378 Clinical (unspecified phase)
0.7955 Intermediate Similarity NPD6959 Discontinued
0.7933 Intermediate Similarity NPD3818 Discontinued
0.7931 Intermediate Similarity NPD4868 Clinical (unspecified phase)
0.7931 Intermediate Similarity NPD3882 Suspended
0.7919 Intermediate Similarity NPD2393 Clinical (unspecified phase)
0.791 Intermediate Similarity NPD6232 Discontinued
0.7889 Intermediate Similarity NPD7054 Approved
0.7886 Intermediate Similarity NPD3749 Approved
0.7882 Intermediate Similarity NPD5403 Approved
0.7869 Intermediate Similarity NPD8313 Approved
0.7869 Intermediate Similarity NPD8312 Approved
0.7857 Intermediate Similarity NPD6559 Discontinued
0.7849 Intermediate Similarity NPD6599 Discontinued
0.7845 Intermediate Similarity NPD7074 Phase 3
0.7845 Intermediate Similarity NPD7472 Approved
0.7829 Intermediate Similarity NPD7768 Phase 2
0.7824 Intermediate Similarity NPD7435 Discontinued
0.7811 Intermediate Similarity NPD6799 Approved
0.7765 Intermediate Similarity NPD5401 Approved
0.7759 Intermediate Similarity NPD1934 Approved
0.7753 Intermediate Similarity NPD1247 Approved
0.7735 Intermediate Similarity NPD3751 Discontinued
0.7714 Intermediate Similarity NPD2801 Approved
0.7696 Intermediate Similarity NPD8090 Clinical (unspecified phase)
0.7688 Intermediate Similarity NPD3226 Approved
0.7679 Intermediate Similarity NPD2800 Approved
0.7677 Intermediate Similarity NPD7874 Approved
0.7677 Intermediate Similarity NPD7875 Clinical (unspecified phase)
0.766 Intermediate Similarity NPD8397 Clinical (unspecified phase)
0.7641 Intermediate Similarity NPD7698 Approved
0.7641 Intermediate Similarity NPD7696 Phase 3
0.7641 Intermediate Similarity NPD7697 Approved
0.764 Intermediate Similarity NPD5537 Clinical (unspecified phase)
0.764 Intermediate Similarity NPD919 Approved
0.7619 Intermediate Similarity NPD1549 Phase 2
0.7611 Intermediate Similarity NPD5710 Approved
0.7611 Intermediate Similarity NPD3787 Discontinued
0.7611 Intermediate Similarity NPD5711 Approved
0.7602 Intermediate Similarity NPD7870 Phase 2
0.7602 Intermediate Similarity NPD7871 Phase 2
0.7577 Intermediate Similarity NPD6778 Approved
0.7577 Intermediate Similarity NPD6779 Approved
0.7577 Intermediate Similarity NPD6781 Approved
0.7577 Intermediate Similarity NPD6782 Approved
0.7577 Intermediate Similarity NPD6777 Approved
0.7577 Intermediate Similarity NPD6780 Approved
0.7577 Intermediate Similarity NPD6776 Approved
0.7574 Intermediate Similarity NPD7421 Clinical (unspecified phase)
0.756 Intermediate Similarity NPD1552 Clinical (unspecified phase)
0.756 Intermediate Similarity NPD1550 Clinical (unspecified phase)
0.7541 Intermediate Similarity NPD7228 Approved
0.7538 Intermediate Similarity NPD8151 Discontinued
0.7529 Intermediate Similarity NPD3750 Approved
0.7515 Intermediate Similarity NPD970 Clinical (unspecified phase)
0.7514 Intermediate Similarity NPD1512 Approved
0.7513 Intermediate Similarity NPD8319 Approved
0.7513 Intermediate Similarity NPD8320 Phase 1
0.75 Intermediate Similarity NPD2796 Approved
0.7487 Intermediate Similarity NPD7701 Phase 2
0.7474 Intermediate Similarity NPD7700 Phase 2
0.7474 Intermediate Similarity NPD7699 Phase 2
0.7471 Intermediate Similarity NPD920 Approved
0.747 Intermediate Similarity NPD5124 Phase 1
0.747 Intermediate Similarity NPD5123 Clinical (unspecified phase)
0.7463 Intermediate Similarity NPD7782 Clinical (unspecified phase)
0.7463 Intermediate Similarity NPD7783 Phase 2
0.7463 Intermediate Similarity NPD7801 Approved
0.7458 Intermediate Similarity NPD37 Approved
0.744 Intermediate Similarity NPD1510 Phase 2
0.7436 Intermediate Similarity NPD8285 Discontinued
0.743 Intermediate Similarity NPD4965 Approved
0.743 Intermediate Similarity NPD4966 Approved
0.743 Intermediate Similarity NPD4967 Phase 2
0.7416 Intermediate Similarity NPD1465 Phase 2
0.7409 Intermediate Similarity NPD6535 Approved
0.7409 Intermediate Similarity NPD6534 Approved
0.7399 Intermediate Similarity NPD1511 Approved
0.7377 Intermediate Similarity NPD7184 Clinical (unspecified phase)
0.7356 Intermediate Similarity NPD642 Clinical (unspecified phase)
0.7353 Intermediate Similarity NPD2346 Discontinued
0.7348 Intermediate Similarity NPD6234 Discontinued
0.7326 Intermediate Similarity NPD6398 Clinical (unspecified phase)
0.7326 Intermediate Similarity NPD4628 Phase 3
0.7321 Intermediate Similarity NPD6651 Approved
0.7308 Intermediate Similarity NPD8366 Approved
0.7308 Intermediate Similarity NPD8155 Clinical (unspecified phase)
0.7294 Intermediate Similarity NPD2935 Discontinued
0.7288 Intermediate Similarity NPD7458 Discontinued
0.7288 Intermediate Similarity NPD5808 Clinical (unspecified phase)
0.7287 Intermediate Similarity NPD7685 Pre-registration
0.7283 Intermediate Similarity NPD6190 Approved
0.7283 Intermediate Similarity NPD3926 Phase 2
0.7268 Intermediate Similarity NPD7199 Phase 2
0.7268 Intermediate Similarity NPD8127 Discontinued
0.7267 Intermediate Similarity NPD1243 Approved
0.7257 Intermediate Similarity NPD7004 Clinical (unspecified phase)
0.7249 Intermediate Similarity NPD4419 Clinical (unspecified phase)
0.7243 Intermediate Similarity NPD2403 Approved
0.7241 Intermediate Similarity NPD643 Clinical (unspecified phase)
0.7236 Intermediate Similarity NPD6823 Phase 2
0.7235 Intermediate Similarity NPD2799 Discontinued
0.7235 Intermediate Similarity NPD3748 Approved
0.7234 Intermediate Similarity NPD5953 Discontinued
0.7228 Intermediate Similarity NPD7229 Phase 3
0.7225 Intermediate Similarity NPD1878 Clinical (unspecified phase)
0.7222 Intermediate Similarity NPD5760 Phase 2
0.7222 Intermediate Similarity NPD5761 Phase 2
0.7222 Intermediate Similarity NPD8455 Phase 2
0.7222 Intermediate Similarity NPD7501 Clinical (unspecified phase)
0.7219 Intermediate Similarity NPD7286 Phase 2
0.7219 Intermediate Similarity NPD1607 Approved
0.7202 Intermediate Similarity NPD1240 Approved
0.7196 Intermediate Similarity NPD7240 Approved
0.7193 Intermediate Similarity NPD6100 Approved
0.7193 Intermediate Similarity NPD6099 Approved
0.7193 Intermediate Similarity NPD1551 Phase 2
0.7186 Intermediate Similarity NPD2313 Discontinued
0.7175 Intermediate Similarity NPD6980 Clinical (unspecified phase)
0.717 Intermediate Similarity NPD8491 Approved
0.7166 Intermediate Similarity NPD7799 Discontinued
0.7166 Intermediate Similarity NPD7893 Clinical (unspecified phase)
0.7151 Intermediate Similarity NPD7784 Clinical (unspecified phase)
0.7136 Intermediate Similarity NPD8469 Approved
0.7113 Intermediate Similarity NPD4287 Approved
0.7105 Intermediate Similarity NPD6765 Approved
0.7105 Intermediate Similarity NPD6764 Approved
0.7102 Intermediate Similarity NPD7390 Discontinued
0.7094 Intermediate Similarity NPD7584 Approved
0.7083 Intermediate Similarity NPD6859 Clinical (unspecified phase)
0.7083 Intermediate Similarity NPD8407 Phase 2
0.7059 Intermediate Similarity NPD6355 Discontinued
0.7056 Intermediate Similarity NPD4360 Phase 2
0.7056 Intermediate Similarity NPD4363 Phase 3
0.7052 Intermediate Similarity NPD1471 Phase 3
0.7045 Intermediate Similarity NPD7236 Approved
0.7035 Intermediate Similarity NPD1509 Clinical (unspecified phase)
0.7035 Intermediate Similarity NPD7033 Discontinued
0.7033 Intermediate Similarity NPD8404 Phase 2
0.7022 Intermediate Similarity NPD6273 Approved
0.7017 Intermediate Similarity NPD7615 Clinical (unspecified phase)
0.7016 Intermediate Similarity NPD8368 Discontinued
0.6982 Remote Similarity NPD4907 Clinical (unspecified phase)
0.6982 Remote Similarity NPD3268 Approved
0.6982 Remote Similarity NPD1699 Clinical (unspecified phase)
0.6981 Remote Similarity NPD7907 Approved
0.6977 Remote Similarity NPD7097 Phase 1
0.6961 Remote Similarity NPD7211 Clinical (unspecified phase)
0.6959 Remote Similarity NPD6784 Approved
0.6959 Remote Similarity NPD8067 Phase 3
0.6959 Remote Similarity NPD6785 Approved
0.6954 Remote Similarity NPD2343 Clinical (unspecified phase)
0.6954 Remote Similarity NPD2344 Approved
0.6944 Remote Similarity NPD7239 Suspended
0.6944 Remote Similarity NPD1653 Approved
0.6939 Remote Similarity NPD8360 Approved
0.6939 Remote Similarity NPD8361 Approved
0.6939 Remote Similarity NPD8435 Approved
0.6932 Remote Similarity NPD7982 Clinical (unspecified phase)
0.6932 Remote Similarity NPD7003 Approved
0.6919 Remote Similarity NPD6212 Phase 3
0.6919 Remote Similarity NPD6214 Clinical (unspecified phase)
0.6919 Remote Similarity NPD6213 Phase 3
0.6901 Remote Similarity NPD7966 Clinical (unspecified phase)
0.6901 Remote Similarity NPD4060 Phase 1
0.69 Remote Similarity NPD8485 Approved
0.6897 Remote Similarity NPD5404 Approved
0.6897 Remote Similarity NPD5406 Approved
0.6897 Remote Similarity NPD5405 Approved

Structure

External Identifiers

PubChem CID   45272281
ChEMBL   CHEMBL554099
ZINC  

Physicochemical Properties

Molecular Weight:  646.31
ALogP:  2.8343
MLogP:  4.65
XLogP:  3.473
# Rotatable Bonds:  19
Polar Surface Area:  139.59
# H-Bond Aceptor:  6
# H-Bond Donor:  3
# Rings:  4
# Heavy Atoms:  47

Download Data

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