Natural Product: NPC471885

Natural Product ID:  NPC471885
Common Name:   n.a.
IUPAC Name:  
Synonyms:  
Molecular Formula:   C32H52O4
Standard InCHIKey:  CRZHMFVUXYIFSA-GQUBHYTPSA-N
Standard InCHI:  InChI=1S/C32H52O4/c1-20(2)18-22(34-8)19-21(3)23-12-14-30(7)24-13-15-32-25(10-11-26(33)28(32,4)5)31(24,27(35-9)36-32)17-16-29(23,30)6/h13,15,18,21-27,33H,10-12,14,16-17,19H2,1-9H3/t21-,22-,23+,24-,25-,26-,27-,29-,30+,31+,32-/m0/s1
Canonical SMILES:  CO[C@H](C[C@@H]([C@H]1CC[C@]2([C@@]1(C)CC[C@]13[C@H]2C=C[C@@]2([C@H]3CC[C@@H](C2(C)C)O)O[C@@H]1OC)C)C)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
NPO8182 Momordica charantia Species Cucurbitaceae Eukaryota Roots PMID[24836069]

  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 = 57 % 17854154
NPT178 Individual Protein Protein-tyrosine phosphatase 1B Homo sapiens Inhibition = 77 % 8792623

  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 NPC471885 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 NPC471887
1.0 High Similarity NPC471888
1.0 High Similarity NPC471886
0.9895 High Similarity NPC37207
0.9688 High Similarity NPC300399
0.9688 High Similarity NPC471482
0.9588 High Similarity NPC471450
0.9485 High Similarity NPC471889
0.9406 High Similarity NPC103627
0.9406 High Similarity NPC191439
0.9406 High Similarity NPC170974
0.9314 High Similarity NPC65034
0.9314 High Similarity NPC208189
0.9307 High Similarity NPC473318
0.9307 High Similarity NPC473328
0.9307 High Similarity NPC28844
0.9223 High Similarity NPC231797
0.9216 High Similarity NPC65155
0.898 High Similarity NPC5358
0.898 High Similarity NPC216260
0.8958 High Similarity NPC144202
0.8932 High Similarity NPC250089
0.8932 High Similarity NPC14630
0.8932 High Similarity NPC157530
0.8922 High Similarity NPC33053
0.8889 High Similarity NPC324598
0.8857 High Similarity NPC473567
0.8857 High Similarity NPC216595
0.8854 High Similarity NPC27531
0.88 High Similarity NPC21568
0.88 High Similarity NPC285231
0.88 High Similarity NPC176406
0.8725 High Similarity NPC85593
0.8725 High Similarity NPC93352
0.8725 High Similarity NPC31430
0.8673 High Similarity NPC135224
0.8673 High Similarity NPC477970
0.8673 High Similarity NPC477969
0.8673 High Similarity NPC100892
0.8627 High Similarity NPC213190
0.8614 High Similarity NPC474022
0.8586 High Similarity NPC12103
0.8586 High Similarity NPC227583
0.8586 High Similarity NPC98457
0.8585 High Similarity NPC13190
0.8571 High Similarity NPC128133
0.8571 High Similarity NPC472901
0.8571 High Similarity NPC189513
0.8558 High Similarity NPC226642
0.8544 High Similarity NPC75608
0.8542 High Similarity NPC470819
0.8505 High Similarity NPC475354
0.8505 High Similarity NPC112274
0.85 High Similarity NPC177818
0.8485 Intermediate Similarity NPC8774
0.8476 Intermediate Similarity NPC38376
0.8476 Intermediate Similarity NPC235824
0.8476 Intermediate Similarity NPC80210
0.8462 Intermediate Similarity NPC26798
0.8462 Intermediate Similarity NPC472900
0.8462 Intermediate Similarity NPC472898
0.8462 Intermediate Similarity NPC472899
0.8454 Intermediate Similarity NPC470817
0.8454 Intermediate Similarity NPC295668
0.8447 Intermediate Similarity NPC120009
0.8431 Intermediate Similarity NPC88000
0.8431 Intermediate Similarity NPC47566
0.8431 Intermediate Similarity NPC4831
0.8431 Intermediate Similarity NPC470434
0.8431 Intermediate Similarity NPC160734
0.8431 Intermediate Similarity NPC129372
0.8431 Intermediate Similarity NPC309425
0.8431 Intermediate Similarity NPC472023
0.8426 Intermediate Similarity NPC51154
0.8416 Intermediate Similarity NPC158088
0.8416 Intermediate Similarity NPC234287
0.8416 Intermediate Similarity NPC280825
0.8411 Intermediate Similarity NPC472987
0.8411 Intermediate Similarity NPC473021
0.8407 Intermediate Similarity NPC41129
0.84 Intermediate Similarity NPC288970
0.8396 Intermediate Similarity NPC285253
0.8396 Intermediate Similarity NPC221110
0.8396 Intermediate Similarity NPC180459
0.8396 Intermediate Similarity NPC195116
0.8384 Intermediate Similarity NPC65402
0.8384 Intermediate Similarity NPC127718
0.8381 Intermediate Similarity NPC231340
0.8365 Intermediate Similarity NPC470885
0.8365 Intermediate Similarity NPC475365
0.8365 Intermediate Similarity NPC187400
0.8365 Intermediate Similarity NPC221562
0.8364 Intermediate Similarity NPC20979
0.8364 Intermediate Similarity NPC476690
0.8364 Intermediate Similarity NPC100048
0.835 Intermediate Similarity NPC471363
0.835 Intermediate Similarity NPC136816
0.835 Intermediate Similarity NPC238397
0.8349 Intermediate Similarity NPC11548
0.8333 Intermediate Similarity NPC477972
0.8333 Intermediate Similarity NPC20113
0.8333 Intermediate Similarity NPC228251
0.8333 Intermediate Similarity NPC477971
0.8333 Intermediate Similarity NPC477968
0.8333 Intermediate Similarity NPC469942
0.8333 Intermediate Similarity NPC473200
0.8333 Intermediate Similarity NPC161527
0.8333 Intermediate Similarity NPC7341
0.8333 Intermediate Similarity NPC219285
0.8318 Intermediate Similarity NPC101450
0.8317 Intermediate Similarity NPC473890
0.8317 Intermediate Similarity NPC243728
0.8302 Intermediate Similarity NPC472897
0.8302 Intermediate Similarity NPC472896
0.8302 Intermediate Similarity NPC476540
0.8302 Intermediate Similarity NPC476541
0.8302 Intermediate Similarity NPC476539
0.8302 Intermediate Similarity NPC476538
0.8302 Intermediate Similarity NPC220427
0.8288 Intermediate Similarity NPC10366
0.8286 Intermediate Similarity NPC476592
0.8286 Intermediate Similarity NPC474015
0.8283 Intermediate Similarity NPC474792
0.8283 Intermediate Similarity NPC67398
0.8283 Intermediate Similarity NPC91654
0.8273 Intermediate Similarity NPC477029
0.8273 Intermediate Similarity NPC477030
0.8269 Intermediate Similarity NPC31907
0.8269 Intermediate Similarity NPC7644
0.8269 Intermediate Similarity NPC472252
0.8269 Intermediate Similarity NPC473020
0.8269 Intermediate Similarity NPC120123
0.8269 Intermediate Similarity NPC131479
0.8269 Intermediate Similarity NPC286969
0.8269 Intermediate Similarity NPC127933
0.8269 Intermediate Similarity NPC189852
0.8269 Intermediate Similarity NPC16520
0.8269 Intermediate Similarity NPC473124
0.8269 Intermediate Similarity NPC7613
0.8269 Intermediate Similarity NPC475701
0.8269 Intermediate Similarity NPC157659
0.8269 Intermediate Similarity NPC134270
0.8269 Intermediate Similarity NPC245280
0.8269 Intermediate Similarity NPC473523
0.8269 Intermediate Similarity NPC155010
0.8269 Intermediate Similarity NPC8039
0.8269 Intermediate Similarity NPC475889
0.8269 Intermediate Similarity NPC473198
0.8269 Intermediate Similarity NPC473123
0.8269 Intermediate Similarity NPC114874
0.8269 Intermediate Similarity NPC211879
0.8257 Intermediate Similarity NPC469348
0.8257 Intermediate Similarity NPC469347
0.8252 Intermediate Similarity NPC267510
0.8241 Intermediate Similarity NPC197231
0.8241 Intermediate Similarity NPC110494
0.8241 Intermediate Similarity NPC157474
0.8229 Intermediate Similarity NPC299068
0.8224 Intermediate Similarity NPC70204
0.8224 Intermediate Similarity NPC477026
0.8224 Intermediate Similarity NPC206618
0.8224 Intermediate Similarity NPC476835
0.8224 Intermediate Similarity NPC306131
0.8224 Intermediate Similarity NPC477027
0.8224 Intermediate Similarity NPC475670
0.8224 Intermediate Similarity NPC475030
0.8218 Intermediate Similarity NPC207617
0.8218 Intermediate Similarity NPC90583
0.8214 Intermediate Similarity NPC477071
0.8211 Intermediate Similarity NPC470077
0.8208 Intermediate Similarity NPC190395
0.8208 Intermediate Similarity NPC109376
0.8208 Intermediate Similarity NPC476594
0.8208 Intermediate Similarity NPC475074
0.8208 Intermediate Similarity NPC475781
0.82 Intermediate Similarity NPC305160
0.8198 Intermediate Similarity NPC196429
0.8198 Intermediate Similarity NPC471355
0.8198 Intermediate Similarity NPC244402
0.8198 Intermediate Similarity NPC99728
0.8198 Intermediate Similarity NPC203862
0.8198 Intermediate Similarity NPC471351
0.8198 Intermediate Similarity NPC50305
0.8198 Intermediate Similarity NPC34390
0.8198 Intermediate Similarity NPC77319
0.8198 Intermediate Similarity NPC93883
0.8198 Intermediate Similarity NPC84987
0.8198 Intermediate Similarity NPC27507
0.8198 Intermediate Similarity NPC471354
0.8198 Intermediate Similarity NPC142066
0.8198 Intermediate Similarity NPC87250
0.8198 Intermediate Similarity NPC157376
0.8198 Intermediate Similarity NPC471353
0.8198 Intermediate Similarity NPC158344
0.8198 Intermediate Similarity NPC473852
0.8198 Intermediate Similarity NPC474418
0.8198 Intermediate Similarity NPC309034
0.8198 Intermediate Similarity NPC243196
0.819 Intermediate Similarity NPC201880
0.819 Intermediate Similarity NPC165033

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC471885 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
0.8125 Intermediate Similarity NPD7327 Approved
0.8125 Intermediate Similarity NPD7328 Approved
0.807 Intermediate Similarity NPD8380 Approved
0.807 Intermediate Similarity NPD8296 Approved
0.807 Intermediate Similarity NPD8378 Approved
0.807 Intermediate Similarity NPD8379 Approved
0.807 Intermediate Similarity NPD8335 Approved
0.8053 Intermediate Similarity NPD7516 Approved
0.7982 Intermediate Similarity NPD8377 Approved
0.7982 Intermediate Similarity NPD8294 Approved
0.7913 Intermediate Similarity NPD8033 Approved
0.7759 Intermediate Similarity NPD7503 Approved
0.7604 Intermediate Similarity NPD7525 Registered
0.7547 Intermediate Similarity NPD7638 Approved
0.7542 Intermediate Similarity NPD6370 Approved
0.75 Intermediate Similarity NPD7507 Approved
0.7477 Intermediate Similarity NPD7639 Approved
0.7477 Intermediate Similarity NPD7640 Approved
0.7475 Intermediate Similarity NPD7338 Clinical (unspecified phase)
0.7459 Intermediate Similarity NPD7319 Approved
0.7377 Intermediate Similarity NPD7736 Approved
0.7374 Intermediate Similarity NPD6695 Phase 3
0.7373 Intermediate Similarity NPD6054 Approved
0.7295 Intermediate Similarity NPD8293 Discontinued
0.7255 Intermediate Similarity NPD7750 Discontinued
0.7232 Intermediate Similarity NPD6412 Phase 2
0.7227 Intermediate Similarity NPD6059 Approved
0.7168 Intermediate Similarity NPD6686 Approved
0.7167 Intermediate Similarity NPD6016 Approved
0.7167 Intermediate Similarity NPD6015 Approved
0.7155 Intermediate Similarity NPD8133 Approved
0.7131 Intermediate Similarity NPD7492 Approved
0.7107 Intermediate Similarity NPD5988 Approved
0.7087 Intermediate Similarity NPD4751 Clinical (unspecified phase)
0.7087 Intermediate Similarity NPD7524 Approved
0.7083 Intermediate Similarity NPD6942 Approved
0.7083 Intermediate Similarity NPD7339 Approved
0.7073 Intermediate Similarity NPD6616 Approved
0.7071 Intermediate Similarity NPD7514 Phase 3
0.7071 Intermediate Similarity NPD6930 Phase 2
0.7071 Intermediate Similarity NPD6931 Approved
0.7069 Intermediate Similarity NPD6882 Approved
0.7016 Intermediate Similarity NPD7078 Approved
0.697 Remote Similarity NPD6929 Approved
0.697 Remote Similarity NPD7645 Phase 2
0.6952 Remote Similarity NPD6051 Approved
0.6939 Remote Similarity NPD6932 Approved
0.6916 Remote Similarity NPD8171 Discontinued
0.6911 Remote Similarity NPD6067 Discontinued
0.69 Remote Similarity NPD6928 Phase 2
0.69 Remote Similarity NPD7332 Phase 2
0.6875 Remote Similarity NPD7632 Discontinued
0.687 Remote Similarity NPD6899 Approved
0.687 Remote Similarity NPD6881 Approved
0.687 Remote Similarity NPD7320 Approved
0.6869 Remote Similarity NPD7145 Approved
0.6842 Remote Similarity NPD6402 Approved
0.6842 Remote Similarity NPD7128 Approved
0.6842 Remote Similarity NPD5739 Approved
0.6842 Remote Similarity NPD6675 Approved
0.6838 Remote Similarity NPD8130 Phase 1
0.6837 Remote Similarity NPD3701 Clinical (unspecified phase)
0.6833 Remote Similarity NPD6009 Approved
0.6833 Remote Similarity NPD7115 Discovery
0.6832 Remote Similarity NPD6902 Approved
0.6822 Remote Similarity NPD7637 Suspended
0.6822 Remote Similarity NPD7087 Discontinued
0.681 Remote Similarity NPD4061 Clinical (unspecified phase)
0.681 Remote Similarity NPD8132 Clinical (unspecified phase)
0.6783 Remote Similarity NPD5697 Approved
0.678 Remote Similarity NPD8297 Approved
0.6768 Remote Similarity NPD5776 Phase 2
0.6768 Remote Similarity NPD6925 Approved
0.6759 Remote Similarity NPD6399 Phase 3
0.6752 Remote Similarity NPD7290 Approved
0.6752 Remote Similarity NPD6883 Approved
0.6752 Remote Similarity NPD7102 Approved
0.6748 Remote Similarity NPD8515 Approved
0.6748 Remote Similarity NPD8513 Phase 3
0.6748 Remote Similarity NPD8517 Approved
0.6748 Remote Similarity NPD8516 Approved
0.6731 Remote Similarity NPD6893 Approved
0.6726 Remote Similarity NPD5211 Phase 2
0.6696 Remote Similarity NPD6008 Approved
0.6696 Remote Similarity NPD5285 Approved
0.6696 Remote Similarity NPD5286 Approved
0.6696 Remote Similarity NPD4696 Approved
0.6695 Remote Similarity NPD6847 Approved
0.6695 Remote Similarity NPD6649 Approved
0.6695 Remote Similarity NPD6650 Approved
0.6695 Remote Similarity NPD6617 Approved
0.6695 Remote Similarity NPD6869 Approved
0.6693 Remote Similarity NPD6033 Approved
0.6667 Remote Similarity NPD6372 Approved
0.6667 Remote Similarity NPD6014 Approved
0.6667 Remote Similarity NPD6373 Approved
0.6667 Remote Similarity NPD6012 Approved
0.6667 Remote Similarity NPD6013 Approved
0.6667 Remote Similarity NPD4755 Approved
0.6667 Remote Similarity NPD6079 Approved
0.6639 Remote Similarity NPD6053 Discontinued
0.6638 Remote Similarity NPD5701 Approved
0.6637 Remote Similarity NPD5344 Discontinued
0.6637 Remote Similarity NPD4159 Approved
0.6636 Remote Similarity NPD5328 Approved
0.6635 Remote Similarity NPD4786 Approved
0.6634 Remote Similarity NPD6683 Phase 2
0.6633 Remote Similarity NPD6924 Approved
0.6633 Remote Similarity NPD4784 Approved
0.6633 Remote Similarity NPD4785 Approved
0.6633 Remote Similarity NPD6926 Approved
0.6615 Remote Similarity NPD8449 Approved
0.661 Remote Similarity NPD5955 Clinical (unspecified phase)
0.6609 Remote Similarity NPD5141 Approved
0.6607 Remote Similarity NPD4225 Approved
0.6606 Remote Similarity NPD4202 Approved
0.6598 Remote Similarity NPD4243 Approved
0.6583 Remote Similarity NPD4632 Approved
0.6581 Remote Similarity NPD6011 Approved
0.6579 Remote Similarity NPD4633 Approved
0.6579 Remote Similarity NPD5225 Approved
0.6579 Remote Similarity NPD5224 Approved
0.6579 Remote Similarity NPD5226 Approved
0.6565 Remote Similarity NPD8450 Suspended
0.6549 Remote Similarity NPD4700 Approved
0.6532 Remote Similarity NPD7741 Discontinued
0.6532 Remote Similarity NPD6319 Approved
0.6522 Remote Similarity NPD5175 Approved
0.6522 Remote Similarity NPD5174 Approved
0.6518 Remote Similarity NPD6083 Phase 2
0.6518 Remote Similarity NPD6084 Phase 2
0.6514 Remote Similarity NPD8035 Phase 2
0.6514 Remote Similarity NPD8034 Phase 2
0.6509 Remote Similarity NPD3618 Phase 1
0.6508 Remote Similarity NPD8328 Phase 3
0.6505 Remote Similarity NPD6898 Phase 1
0.65 Remote Similarity NPD6933 Approved
0.6491 Remote Similarity NPD5223 Approved
0.6476 Remote Similarity NPD6400 Clinical (unspecified phase)
0.6471 Remote Similarity NPD4634 Approved
0.6442 Remote Similarity NPD3667 Approved
0.6441 Remote Similarity NPD5345 Clinical (unspecified phase)
0.6429 Remote Similarity NPD7152 Approved
0.6429 Remote Similarity NPD7151 Approved
0.6429 Remote Similarity NPD5222 Approved
0.6429 Remote Similarity NPD5220 Clinical (unspecified phase)
0.6429 Remote Similarity NPD5221 Approved
0.6429 Remote Similarity NPD7150 Approved
0.6423 Remote Similarity NPD8295 Clinical (unspecified phase)
0.6417 Remote Similarity NPD6401 Clinical (unspecified phase)
0.6408 Remote Similarity NPD4748 Discontinued
0.6408 Remote Similarity NPD7509 Discontinued
0.6404 Remote Similarity NPD6648 Approved
0.64 Remote Similarity NPD8264 Approved
0.6396 Remote Similarity NPD7748 Approved
0.6378 Remote Similarity NPD7604 Phase 2
0.6373 Remote Similarity NPD7322 Clinical (unspecified phase)
0.6372 Remote Similarity NPD7902 Approved
0.6372 Remote Similarity NPD5173 Approved
0.6357 Remote Similarity NPD7625 Phase 1
0.6356 Remote Similarity NPD5954 Clinical (unspecified phase)
0.6349 Remote Similarity NPD5983 Phase 2
0.6339 Remote Similarity NPD6356 Clinical (unspecified phase)
0.6336 Remote Similarity NPD5956 Approved
0.633 Remote Similarity NPD4753 Phase 2
0.6327 Remote Similarity NPD7144 Approved
0.6327 Remote Similarity NPD7143 Approved
0.6325 Remote Similarity NPD8170 Clinical (unspecified phase)
0.632 Remote Similarity NPD7100 Approved
0.632 Remote Similarity NPD7101 Approved
0.6311 Remote Similarity NPD4195 Approved
0.6303 Remote Similarity NPD4730 Approved
0.6303 Remote Similarity NPD4729 Approved
0.6283 Remote Similarity NPD4697 Phase 3
0.6281 Remote Similarity NPD8413 Clinical (unspecified phase)
0.6279 Remote Similarity NPD6336 Discontinued
0.6273 Remote Similarity NPD3168 Discontinued
0.6271 Remote Similarity NPD4767 Approved
0.6271 Remote Similarity NPD4768 Approved
0.6262 Remote Similarity NPD7520 Clinical (unspecified phase)
0.624 Remote Similarity NPD6335 Approved
0.6239 Remote Similarity NPD4754 Approved
0.6238 Remote Similarity NPD4190 Phase 3
0.6238 Remote Similarity NPD5275 Approved
0.6231 Remote Similarity NPD8074 Phase 3
0.6224 Remote Similarity NPD6922 Approved
0.6224 Remote Similarity NPD4267 Clinical (unspecified phase)
0.6224 Remote Similarity NPD6923 Approved
0.622 Remote Similarity NPD6291 Clinical (unspecified phase)
0.6216 Remote Similarity NPD7515 Phase 2
0.621 Remote Similarity NPD6274 Approved
0.6198 Remote Similarity NPD5249 Phase 3
0.6198 Remote Similarity NPD5247 Approved
0.6198 Remote Similarity NPD5248 Approved
0.6198 Remote Similarity NPD5250 Approved
0.6198 Remote Similarity NPD5251 Approved
0.6195 Remote Similarity NPD5695 Phase 3
0.6195 Remote Similarity NPD7991 Discontinued
0.6195 Remote Similarity NPD5210 Approved
0.6195 Remote Similarity NPD4629 Approved

Structure

External Identifiers

PubChem CID   90677195
ChEMBL   CHEMBL3264659
ZINC  

Physicochemical Properties

Molecular Weight:  500.39
ALogP:  2.8706
MLogP:  4.54
XLogP:  7.846
# Rotatable Bonds:  16
Polar Surface Area:  47.92
# H-Bond Aceptor:  4
# H-Bond Donor:  1
# Rings:  5
# Heavy Atoms:  36

Download Data

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