Natural Product: NPC472362

Natural Product ID:  NPC472362
Common Name:   n.a.
IUPAC Name:  
Synonyms:  
Molecular Formula:   C27H42O3
Standard InCHIKey:  IWRWTZUVBMXROH-RDMJDEGGSA-N
Standard InCHI:  InChI=1S/C27H42O3/c1-7-27-13-8-12-24(3,4)18(27)11-14-25(5)19-10-9-17-16(2)30-23(29)22(17)26(19,6)21(28)15-20(25)27/h16,18-21,28H,7-15H2,1-6H3/t16-,18+,19+,20+,21-,25+,26-,27+/m1/s1
Canonical SMILES:  CC[C@@]12CCCC([C@@H]2CC[C@@]2([C@@H]1C[C@@H](O)[C@]1([C@H]2CCC2=C1C(=O)O[C@@H]2C)C)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
NPO32540 hyattella sp. Species Spongiidae Eukaryota Indonesia PMID[25595683]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT178 Individual Protein Protein-tyrosine phosphatase 1B Homo sapiens Inhibition = 42 % 22295903
NPT178 Individual Protein Protein-tyrosine phosphatase 1B Homo sapiens IC50 = 7450 nM 23743282

  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 NPC472362 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 NPC154526
1.0 High Similarity NPC472363
0.9889 High Similarity NPC132753
0.9889 High Similarity NPC151681
0.9889 High Similarity NPC175351
0.9889 High Similarity NPC224356
0.9889 High Similarity NPC121402
0.9468 High Similarity NPC165250
0.9368 High Similarity NPC471208
0.899 High Similarity NPC325054
0.8889 High Similarity NPC110496
0.88 High Similarity NPC90946
0.88 High Similarity NPC189075
0.88 High Similarity NPC300614
0.88 High Similarity NPC275539
0.8778 High Similarity NPC250981
0.8713 High Similarity NPC31522
0.8673 High Similarity NPC476081
0.866 High Similarity NPC201406
0.8571 High Similarity NPC471075
0.8557 High Similarity NPC478056
0.8557 High Similarity NPC124703
0.8557 High Similarity NPC234617
0.8526 High Similarity NPC471720
0.8526 High Similarity NPC91010
0.8511 High Similarity NPC186363
0.8511 High Similarity NPC233345
0.8469 Intermediate Similarity NPC474012
0.8469 Intermediate Similarity NPC117685
0.8469 Intermediate Similarity NPC476299
0.8462 Intermediate Similarity NPC194951
0.8462 Intermediate Similarity NPC12046
0.8438 Intermediate Similarity NPC183012
0.8421 Intermediate Similarity NPC139692
0.8421 Intermediate Similarity NPC49776
0.8421 Intermediate Similarity NPC474436
0.8421 Intermediate Similarity NPC63118
0.8416 Intermediate Similarity NPC478052
0.8404 Intermediate Similarity NPC221111
0.8404 Intermediate Similarity NPC280149
0.84 Intermediate Similarity NPC112009
0.84 Intermediate Similarity NPC254202
0.84 Intermediate Similarity NPC120321
0.84 Intermediate Similarity NPC159533
0.8387 Intermediate Similarity NPC277771
0.8384 Intermediate Similarity NPC235142
0.8384 Intermediate Similarity NPC303559
0.8384 Intermediate Similarity NPC63249
0.8381 Intermediate Similarity NPC157441
0.8352 Intermediate Similarity NPC171789
0.8351 Intermediate Similarity NPC327179
0.8333 Intermediate Similarity NPC301666
0.8333 Intermediate Similarity NPC67321
0.8333 Intermediate Similarity NPC187435
0.8316 Intermediate Similarity NPC235704
0.8316 Intermediate Similarity NPC187722
0.83 Intermediate Similarity NPC134077
0.83 Intermediate Similarity NPC295791
0.83 Intermediate Similarity NPC273005
0.83 Intermediate Similarity NPC31058
0.83 Intermediate Similarity NPC469606
0.83 Intermediate Similarity NPC476890
0.83 Intermediate Similarity NPC136289
0.8298 Intermediate Similarity NPC470588
0.8286 Intermediate Similarity NPC476163
0.828 Intermediate Similarity NPC305029
0.828 Intermediate Similarity NPC312561
0.8265 Intermediate Similarity NPC38530
0.8265 Intermediate Similarity NPC253826
0.8265 Intermediate Similarity NPC84335
0.8235 Intermediate Similarity NPC469607
0.8235 Intermediate Similarity NPC34768
0.8229 Intermediate Similarity NPC158059
0.8229 Intermediate Similarity NPC118519
0.8229 Intermediate Similarity NPC295643
0.8229 Intermediate Similarity NPC272075
0.8229 Intermediate Similarity NPC472303
0.8229 Intermediate Similarity NPC214756
0.8229 Intermediate Similarity NPC229281
0.8229 Intermediate Similarity NPC202728
0.8218 Intermediate Similarity NPC478057
0.8218 Intermediate Similarity NPC36688
0.8218 Intermediate Similarity NPC180204
0.8218 Intermediate Similarity NPC476889
0.8218 Intermediate Similarity NPC95899
0.8218 Intermediate Similarity NPC324001
0.8211 Intermediate Similarity NPC120968
0.8211 Intermediate Similarity NPC210037
0.8211 Intermediate Similarity NPC290614
0.8211 Intermediate Similarity NPC477872
0.8211 Intermediate Similarity NPC7260
0.8211 Intermediate Similarity NPC227467
0.8211 Intermediate Similarity NPC78973
0.8211 Intermediate Similarity NPC8062
0.8211 Intermediate Similarity NPC273621
0.8211 Intermediate Similarity NPC474728
0.8211 Intermediate Similarity NPC18872
0.8208 Intermediate Similarity NPC25909
0.82 Intermediate Similarity NPC476888
0.82 Intermediate Similarity NPC81530
0.82 Intermediate Similarity NPC93744
0.82 Intermediate Similarity NPC471412
0.8191 Intermediate Similarity NPC246708
0.8191 Intermediate Similarity NPC473242
0.8191 Intermediate Similarity NPC470629
0.8191 Intermediate Similarity NPC290690
0.8191 Intermediate Similarity NPC17733
0.8191 Intermediate Similarity NPC474512
0.8191 Intermediate Similarity NPC181225
0.8191 Intermediate Similarity NPC40552
0.8182 Intermediate Similarity NPC164349
0.8182 Intermediate Similarity NPC471966
0.8182 Intermediate Similarity NPC194196
0.8172 Intermediate Similarity NPC85698
0.8172 Intermediate Similarity NPC72638
0.8172 Intermediate Similarity NPC325594
0.8172 Intermediate Similarity NPC6979
0.8172 Intermediate Similarity NPC185638
0.8172 Intermediate Similarity NPC56588
0.8163 Intermediate Similarity NPC7124
0.8163 Intermediate Similarity NPC242848
0.8163 Intermediate Similarity NPC116457
0.8163 Intermediate Similarity NPC235053
0.8163 Intermediate Similarity NPC234993
0.8163 Intermediate Similarity NPC134072
0.8144 Intermediate Similarity NPC6818
0.8144 Intermediate Similarity NPC74751
0.8144 Intermediate Similarity NPC114159
0.8144 Intermediate Similarity NPC191412
0.8144 Intermediate Similarity NPC474554
0.8137 Intermediate Similarity NPC222161
0.8125 Intermediate Similarity NPC470590
0.8125 Intermediate Similarity NPC329842
0.8125 Intermediate Similarity NPC233455
0.8125 Intermediate Similarity NPC105189
0.8125 Intermediate Similarity NPC285184
0.8125 Intermediate Similarity NPC289479
0.8125 Intermediate Similarity NPC60755
0.8125 Intermediate Similarity NPC65120
0.8125 Intermediate Similarity NPC49420
0.8125 Intermediate Similarity NPC77099
0.8125 Intermediate Similarity NPC158030
0.8125 Intermediate Similarity NPC72845
0.8125 Intermediate Similarity NPC38754
0.8125 Intermediate Similarity NPC145067
0.8125 Intermediate Similarity NPC4036
0.8119 Intermediate Similarity NPC162973
0.8119 Intermediate Similarity NPC32577
0.8119 Intermediate Similarity NPC40918
0.8119 Intermediate Similarity NPC114540
0.8119 Intermediate Similarity NPC137430
0.8119 Intermediate Similarity NPC80781
0.8119 Intermediate Similarity NPC273668
0.8119 Intermediate Similarity NPC155332
0.8113 Intermediate Similarity NPC277769
0.8105 Intermediate Similarity NPC30522
0.8105 Intermediate Similarity NPC50488
0.8105 Intermediate Similarity NPC290972
0.8105 Intermediate Similarity NPC143232
0.8105 Intermediate Similarity NPC25906
0.8105 Intermediate Similarity NPC198664
0.8105 Intermediate Similarity NPC474396
0.8105 Intermediate Similarity NPC174342
0.8105 Intermediate Similarity NPC474686
0.8105 Intermediate Similarity NPC5509
0.8105 Intermediate Similarity NPC64872
0.8105 Intermediate Similarity NPC274330
0.81 Intermediate Similarity NPC474190
0.81 Intermediate Similarity NPC307954
0.81 Intermediate Similarity NPC251680
0.81 Intermediate Similarity NPC47024
0.81 Intermediate Similarity NPC471413
0.81 Intermediate Similarity NPC476767
0.8085 Intermediate Similarity NPC293564
0.8085 Intermediate Similarity NPC142415
0.8085 Intermediate Similarity NPC242468
0.8085 Intermediate Similarity NPC181103
0.8085 Intermediate Similarity NPC171203
0.8085 Intermediate Similarity NPC307426
0.8085 Intermediate Similarity NPC51700
0.8085 Intermediate Similarity NPC18064
0.8085 Intermediate Similarity NPC68160
0.8085 Intermediate Similarity NPC98442
0.8085 Intermediate Similarity NPC102683
0.8085 Intermediate Similarity NPC88716
0.8085 Intermediate Similarity NPC71507
0.8085 Intermediate Similarity NPC130577
0.8081 Intermediate Similarity NPC259788
0.8081 Intermediate Similarity NPC89225
0.8081 Intermediate Similarity NPC474343
0.8081 Intermediate Similarity NPC170131
0.8081 Intermediate Similarity NPC51499
0.8081 Intermediate Similarity NPC255589
0.8081 Intermediate Similarity NPC76266
0.8077 Intermediate Similarity NPC306265
0.8065 Intermediate Similarity NPC106416
0.8065 Intermediate Similarity NPC86316
0.8065 Intermediate Similarity NPC197823
0.8065 Intermediate Similarity NPC474013
0.8061 Intermediate Similarity NPC53565

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC472362 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
0.8265 Intermediate Similarity NPD7902 Approved
0.8182 Intermediate Similarity NPD7638 Approved
0.8144 Intermediate Similarity NPD7748 Approved
0.8125 Intermediate Similarity NPD7515 Phase 2
0.81 Intermediate Similarity NPD7639 Approved
0.81 Intermediate Similarity NPD7640 Approved
0.8 Intermediate Similarity NPD4061 Clinical (unspecified phase)
0.7959 Intermediate Similarity NPD7901 Clinical (unspecified phase)
0.7959 Intermediate Similarity NPD7900 Approved
0.7941 Intermediate Similarity NPD7632 Discontinued
0.7925 Intermediate Similarity NPD5955 Clinical (unspecified phase)
0.7857 Intermediate Similarity NPD6399 Phase 3
0.7818 Intermediate Similarity NPD7115 Discovery
0.7789 Intermediate Similarity NPD3618 Phase 1
0.7755 Intermediate Similarity NPD8035 Phase 2
0.7755 Intermediate Similarity NPD8034 Phase 2
0.7684 Intermediate Similarity NPD7520 Clinical (unspecified phase)
0.7684 Intermediate Similarity NPD1694 Approved
0.7647 Intermediate Similarity NPD4225 Approved
0.7642 Intermediate Similarity NPD5954 Clinical (unspecified phase)
0.7629 Intermediate Similarity NPD7513 Clinical (unspecified phase)
0.7553 Intermediate Similarity NPD4752 Clinical (unspecified phase)
0.7551 Intermediate Similarity NPD5328 Approved
0.7547 Intermediate Similarity NPD5739 Approved
0.7547 Intermediate Similarity NPD6675 Approved
0.7547 Intermediate Similarity NPD6402 Approved
0.7547 Intermediate Similarity NPD7128 Approved
0.75 Intermediate Similarity NPD6373 Approved
0.75 Intermediate Similarity NPD6372 Approved
0.7423 Intermediate Similarity NPD5330 Approved
0.7423 Intermediate Similarity NPD6409 Approved
0.7423 Intermediate Similarity NPD6684 Approved
0.7423 Intermediate Similarity NPD7334 Approved
0.7423 Intermediate Similarity NPD7146 Approved
0.7423 Intermediate Similarity NPD7521 Approved
0.7407 Intermediate Similarity NPD6686 Approved
0.7407 Intermediate Similarity NPD6899 Approved
0.7407 Intermediate Similarity NPD7320 Approved
0.7407 Intermediate Similarity NPD6881 Approved
0.74 Intermediate Similarity NPD6079 Approved
0.7396 Intermediate Similarity NPD4786 Approved
0.7368 Intermediate Similarity NPD3667 Approved
0.7364 Intermediate Similarity NPD6649 Approved
0.7364 Intermediate Similarity NPD6650 Approved
0.7327 Intermediate Similarity NPD4202 Approved
0.7315 Intermediate Similarity NPD5701 Approved
0.7315 Intermediate Similarity NPD5697 Approved
0.7288 Intermediate Similarity NPD7507 Approved
0.7273 Intermediate Similarity NPD6903 Approved
0.7273 Intermediate Similarity NPD7290 Approved
0.7273 Intermediate Similarity NPD7102 Approved
0.7273 Intermediate Similarity NPD6883 Approved
0.7248 Intermediate Similarity NPD6011 Approved
0.7216 Intermediate Similarity NPD3665 Phase 1
0.7216 Intermediate Similarity NPD3666 Approved
0.7216 Intermediate Similarity NPD3133 Approved
0.7212 Intermediate Similarity NPD6083 Phase 2
0.7212 Intermediate Similarity NPD6084 Phase 2
0.7207 Intermediate Similarity NPD8130 Phase 1
0.7207 Intermediate Similarity NPD6847 Approved
0.7207 Intermediate Similarity NPD6617 Approved
0.7207 Intermediate Similarity NPD6401 Clinical (unspecified phase)
0.7207 Intermediate Similarity NPD6869 Approved
0.7204 Intermediate Similarity NPD6116 Phase 1
0.72 Intermediate Similarity NPD7285 Clinical (unspecified phase)
0.7182 Intermediate Similarity NPD8132 Clinical (unspecified phase)
0.7182 Intermediate Similarity NPD6012 Approved
0.7182 Intermediate Similarity NPD6014 Approved
0.7182 Intermediate Similarity NPD6013 Approved
0.7172 Intermediate Similarity NPD3573 Approved
0.7143 Intermediate Similarity NPD6882 Approved
0.7143 Intermediate Similarity NPD8297 Approved
0.7115 Intermediate Similarity NPD4697 Phase 3
0.7107 Intermediate Similarity NPD7319 Approved
0.71 Intermediate Similarity NPD6672 Approved
0.71 Intermediate Similarity NPD5737 Approved
0.7097 Intermediate Similarity NPD6117 Approved
0.7065 Intermediate Similarity NPD6113 Clinical (unspecified phase)
0.7064 Intermediate Similarity NPD6008 Approved
0.7053 Intermediate Similarity NPD7645 Phase 2
0.7048 Intermediate Similarity NPD4755 Approved
0.7043 Intermediate Similarity NPD8295 Clinical (unspecified phase)
0.7019 Intermediate Similarity NPD6356 Clinical (unspecified phase)
0.6983 Remote Similarity NPD7327 Approved
0.6983 Remote Similarity NPD7328 Approved
0.6981 Remote Similarity NPD5696 Approved
0.6952 Remote Similarity NPD5221 Approved
0.6952 Remote Similarity NPD5220 Clinical (unspecified phase)
0.6952 Remote Similarity NPD5222 Approved
0.6949 Remote Similarity NPD8033 Approved
0.6947 Remote Similarity NPD6115 Approved
0.6947 Remote Similarity NPD6114 Approved
0.6947 Remote Similarity NPD3617 Approved
0.6947 Remote Similarity NPD6697 Approved
0.6947 Remote Similarity NPD6118 Approved
0.6944 Remote Similarity NPD5211 Phase 2
0.6923 Remote Similarity NPD7516 Approved
0.6916 Remote Similarity NPD5286 Approved
0.6916 Remote Similarity NPD4700 Approved
0.6916 Remote Similarity NPD4696 Approved
0.6916 Remote Similarity NPD5285 Approved
0.69 Remote Similarity NPD3574 Clinical (unspecified phase)
0.6893 Remote Similarity NPD6411 Approved
0.6893 Remote Similarity NPD5693 Phase 1
0.6887 Remote Similarity NPD5173 Approved
0.6864 Remote Similarity NPD8294 Approved
0.6864 Remote Similarity NPD8377 Approved
0.6857 Remote Similarity NPD5695 Phase 3
0.6852 Remote Similarity NPD5223 Approved
0.6847 Remote Similarity NPD6412 Phase 2
0.6842 Remote Similarity NPD6053 Discontinued
0.6838 Remote Similarity NPD6335 Approved
0.6833 Remote Similarity NPD8328 Phase 3
0.6818 Remote Similarity NPD5141 Approved
0.681 Remote Similarity NPD6274 Approved
0.681 Remote Similarity NPD6868 Approved
0.6807 Remote Similarity NPD8379 Approved
0.6807 Remote Similarity NPD8296 Approved
0.6807 Remote Similarity NPD8335 Approved
0.6807 Remote Similarity NPD8380 Approved
0.6807 Remote Similarity NPD8378 Approved
0.6804 Remote Similarity NPD7525 Registered
0.6796 Remote Similarity NPD5785 Approved
0.6789 Remote Similarity NPD5224 Approved
0.6789 Remote Similarity NPD5226 Approved
0.6789 Remote Similarity NPD4633 Approved
0.6789 Remote Similarity NPD5225 Approved
0.6786 Remote Similarity NPD5345 Clinical (unspecified phase)
0.6783 Remote Similarity NPD8133 Approved
0.6783 Remote Similarity NPD4632 Approved
0.678 Remote Similarity NPD7101 Approved
0.678 Remote Similarity NPD7100 Approved
0.6762 Remote Similarity NPD6001 Approved
0.6752 Remote Similarity NPD6317 Approved
0.6733 Remote Similarity NPD4623 Approved
0.6733 Remote Similarity NPD4519 Discontinued
0.6733 Remote Similarity NPD5279 Phase 3
0.6731 Remote Similarity NPD5281 Approved
0.6731 Remote Similarity NPD5284 Approved
0.6727 Remote Similarity NPD4754 Approved
0.6727 Remote Similarity NPD5174 Approved
0.6727 Remote Similarity NPD5175 Approved
0.67 Remote Similarity NPD6400 Clinical (unspecified phase)
0.67 Remote Similarity NPD3668 Phase 3
0.6699 Remote Similarity NPD5764 Clinical (unspecified phase)
0.6699 Remote Similarity NPD6080 Approved
0.6699 Remote Similarity NPD6051 Approved
0.6699 Remote Similarity NPD6673 Approved
0.6699 Remote Similarity NPD6904 Approved
0.6699 Remote Similarity NPD4753 Phase 2
0.6699 Remote Similarity NPD6101 Approved
0.6698 Remote Similarity NPD1698 Clinical (unspecified phase)
0.6695 Remote Similarity NPD6313 Approved
0.6695 Remote Similarity NPD6314 Approved
0.6667 Remote Similarity NPD4808 Clinical (unspecified phase)
0.6667 Remote Similarity NPD4223 Phase 3
0.6667 Remote Similarity NPD4221 Approved
0.6667 Remote Similarity NPD5778 Approved
0.6667 Remote Similarity NPD4809 Clinical (unspecified phase)
0.6667 Remote Similarity NPD6908 Approved
0.6667 Remote Similarity NPD6291 Clinical (unspecified phase)
0.6667 Remote Similarity NPD5779 Approved
0.6667 Remote Similarity NPD6909 Approved
0.6636 Remote Similarity NPD7614 Phase 1
0.6635 Remote Similarity NPD6698 Approved
0.6635 Remote Similarity NPD46 Approved
0.6634 Remote Similarity NPD5329 Approved
0.6633 Remote Similarity NPD4695 Discontinued
0.6632 Remote Similarity NPD7339 Approved
0.6632 Remote Similarity NPD6942 Approved
0.663 Remote Similarity NPD3700 Clinical (unspecified phase)
0.663 Remote Similarity NPD3699 Clinical (unspecified phase)
0.6613 Remote Similarity NPD7736 Approved
0.661 Remote Similarity NPD6009 Approved
0.6607 Remote Similarity NPD4768 Approved
0.6607 Remote Similarity NPD4767 Approved
0.6602 Remote Similarity NPD5208 Approved
0.66 Remote Similarity NPD4788 Approved
0.6583 Remote Similarity NPD6319 Approved
0.6569 Remote Similarity NPD6098 Approved
0.6562 Remote Similarity NPD3701 Clinical (unspecified phase)
0.6557 Remote Similarity NPD7604 Phase 2
0.6542 Remote Similarity NPD4629 Approved
0.6542 Remote Similarity NPD5210 Approved
0.6535 Remote Similarity NPD4197 Approved
0.6529 Remote Similarity NPD5983 Phase 2
0.6529 Remote Similarity NPD7503 Approved
0.6504 Remote Similarity NPD7492 Approved
0.6491 Remote Similarity NPD4730 Approved
0.6491 Remote Similarity NPD4729 Approved
0.6491 Remote Similarity NPD5128 Approved
0.6489 Remote Similarity NPD5777 Approved
0.6481 Remote Similarity NPD7732 Phase 3
0.6476 Remote Similarity NPD5207 Approved
0.6458 Remote Similarity NPD8039 Approved
0.6458 Remote Similarity NPD3703 Phase 2
0.6452 Remote Similarity NPD6616 Approved
0.6452 Remote Similarity NPD6336 Discontinued
0.6446 Remote Similarity NPD6054 Approved
0.6446 Remote Similarity NPD6059 Approved

Structure

External Identifiers

PubChem CID  
ChEMBL   CHEMBL3393517
ZINC  

Physicochemical Properties

Molecular Weight:  414.31
ALogP:  1.2071
MLogP:  4.1
XLogP:  8.114
# Rotatable Bonds:  8
Polar Surface Area:  46.53
# H-Bond Aceptor:  3
# H-Bond Donor:  1
# Rings:  5
# Heavy Atoms:  30

Download Data

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General Info & Identifiers & Properties  
Structure MOL file  
Source Organisms  
Biological Activities  
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