Natural Product: NPC13554

Natural Product ID:  NPC13554
Common Name:   (20S)-Dammarane-24(25)-Ene-3Beta,20,21-Tetrol
IUPAC Name:   (2S)-2-[(3S,5R,8R,9R,10R,13R,14R,17S)-3-hydroxy-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-6-methylhept-5-ene-1,2-diol
Synonyms:  
Molecular Formula:   C30H52O3
Standard InCHIKey:  ARYNZYKWUXIZOG-AYHBXSNGSA-N
Standard InCHI:  InChI=1S/C30H52O3/c1-20(2)9-8-15-30(33,19-31)22-12-17-28(6)21(22)10-11-24-27(5)16-14-25(32)26(3,4)23(27)13-18-29(24,28)7/h9,21-25,31-33H,8,10-19H2,1-7H3/t21-,22+,23+,24-,25+,27+,28-,29-,30-/m1/s1
Canonical SMILES:  OC[C@@]([C@H]1CC[C@@]2([C@@H]1CC[C@H]1[C@@]2(C)CC[C@@H]2[C@]1(C)CC[C@@H](C2(C)C)O)C)(CCC=C(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
NPO4305 Pertusaria wulfenii Species Pertusariaceae Eukaryota UNPD*
NPO11990 Coleostephus myconis Species Asteraceae Eukaryota UNPD*
NPO918 Dahlia pinnata Species Asteraceae Eukaryota UNPD*
NPO16506 Synotis alata Species Asteraceae Eukaryota UNPD*
NPO12934 Gynostemma pentaphyllum Species Cucurbitaceae Eukaryota UNPD*

  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 IC50 = 15200 nM 23177789

  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 NPC13554 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
0.973 High Similarity NPC285761
0.961 High Similarity NPC207013
0.96 High Similarity NPC273410
0.96 High Similarity NPC80530
0.9481 High Similarity NPC30166
0.9474 High Similarity NPC236237
0.9474 High Similarity NPC236112
0.9474 High Similarity NPC322313
0.9474 High Similarity NPC102253
0.9467 High Similarity NPC138621
0.9467 High Similarity NPC244385
0.9467 High Similarity NPC6978
0.9467 High Similarity NPC167037
0.9459 High Similarity NPC237460
0.9459 High Similarity NPC91573
0.9351 High Similarity NPC474531
0.9342 High Similarity NPC328714
0.9231 High Similarity NPC296701
0.9231 High Similarity NPC218616
0.9211 High Similarity NPC85346
0.9211 High Similarity NPC302041
0.9211 High Similarity NPC65897
0.92 High Similarity NPC189883
0.9103 High Similarity NPC6707
0.9103 High Similarity NPC70927
0.9091 High Similarity NPC1319
0.9079 High Similarity NPC214570
0.9079 High Similarity NPC198968
0.9079 High Similarity NPC318495
0.9079 High Similarity NPC155986
0.9067 High Similarity NPC471723
0.9067 High Similarity NPC141071
0.9067 High Similarity NPC257347
0.9067 High Similarity NPC3403
0.9012 High Similarity NPC94462
0.9012 High Similarity NPC125399
0.9012 High Similarity NPC269058
0.9012 High Similarity NPC71520
0.8961 High Similarity NPC102708
0.8961 High Similarity NPC312328
0.8961 High Similarity NPC275910
0.8947 High Similarity NPC240604
0.8947 High Similarity NPC134330
0.8947 High Similarity NPC300324
0.8947 High Similarity NPC321016
0.8947 High Similarity NPC202642
0.8947 High Similarity NPC129165
0.8947 High Similarity NPC46160
0.8947 High Similarity NPC321381
0.8947 High Similarity NPC107059
0.8947 High Similarity NPC73875
0.8919 High Similarity NPC167706
0.8919 High Similarity NPC111234
0.8875 High Similarity NPC474634
0.8875 High Similarity NPC113978
0.8875 High Similarity NPC110778
0.8875 High Similarity NPC134481
0.8875 High Similarity NPC470558
0.8875 High Similarity NPC477818
0.8875 High Similarity NPC82623
0.8875 High Similarity NPC317458
0.8846 High Similarity NPC472463
0.8846 High Similarity NPC30986
0.8846 High Similarity NPC209430
0.8831 High Similarity NPC470758
0.8831 High Similarity NPC470711
0.8816 High Similarity NPC230301
0.8816 High Similarity NPC22105
0.8816 High Similarity NPC136188
0.8816 High Similarity NPC322353
0.8816 High Similarity NPC66566
0.8816 High Similarity NPC212879
0.8816 High Similarity NPC240235
0.8816 High Similarity NPC230704
0.8816 High Similarity NPC288035
0.8816 High Similarity NPC285893
0.8816 High Similarity NPC118508
0.8816 High Similarity NPC134847
0.8816 High Similarity NPC185536
0.8816 High Similarity NPC178383
0.8816 High Similarity NPC162742
0.8816 High Similarity NPC121744
0.8816 High Similarity NPC304309
0.8816 High Similarity NPC28657
0.8816 High Similarity NPC104387
0.8816 High Similarity NPC477923
0.8816 High Similarity NPC70982
0.8816 High Similarity NPC231256
0.8795 High Similarity NPC133588
0.8795 High Similarity NPC67872
0.8784 High Similarity NPC45296
0.878 High Similarity NPC201273
0.8765 High Similarity NPC470077
0.8765 High Similarity NPC474493
0.8765 High Similarity NPC209802
0.8765 High Similarity NPC185568
0.875 High Similarity NPC248886
0.875 High Similarity NPC470049
0.875 High Similarity NPC87489
0.875 High Similarity NPC49964
0.8734 High Similarity NPC22403
0.8734 High Similarity NPC209944
0.8734 High Similarity NPC164840
0.8734 High Similarity NPC241290
0.8718 High Similarity NPC186191
0.8718 High Similarity NPC87604
0.8718 High Similarity NPC205455
0.8718 High Similarity NPC473943
0.8718 High Similarity NPC301707
0.8718 High Similarity NPC42853
0.8718 High Similarity NPC31828
0.8718 High Similarity NPC474216
0.8718 High Similarity NPC477522
0.8718 High Similarity NPC472342
0.8701 High Similarity NPC78067
0.8701 High Similarity NPC315261
0.8701 High Similarity NPC470362
0.8701 High Similarity NPC470749
0.8701 High Similarity NPC86305
0.8701 High Similarity NPC93662
0.8701 High Similarity NPC113733
0.8701 High Similarity NPC14112
0.8701 High Similarity NPC278091
0.869 High Similarity NPC105495
0.869 High Similarity NPC470361
0.869 High Similarity NPC109744
0.8684 High Similarity NPC145552
0.8684 High Similarity NPC192638
0.8684 High Similarity NPC196358
0.8684 High Similarity NPC308440
0.8684 High Similarity NPC472503
0.8684 High Similarity NPC62657
0.8684 High Similarity NPC25511
0.8684 High Similarity NPC100334
0.8684 High Similarity NPC5046
0.8684 High Similarity NPC49168
0.8684 High Similarity NPC254509
0.8675 High Similarity NPC474657
0.8675 High Similarity NPC186145
0.8675 High Similarity NPC470620
0.8659 High Similarity NPC318390
0.8642 High Similarity NPC85095
0.8642 High Similarity NPC216420
0.8642 High Similarity NPC141941
0.8642 High Similarity NPC193870
0.8642 High Similarity NPC211135
0.8625 High Similarity NPC264245
0.8625 High Similarity NPC47761
0.8625 High Similarity NPC470383
0.8608 High Similarity NPC143182
0.8608 High Similarity NPC84694
0.8608 High Similarity NPC49627
0.8608 High Similarity NPC49599
0.8608 High Similarity NPC81306
0.8608 High Similarity NPC109546
0.8608 High Similarity NPC291379
0.8608 High Similarity NPC28862
0.8608 High Similarity NPC47982
0.859 High Similarity NPC248830
0.859 High Similarity NPC119355
0.859 High Similarity NPC202540
0.859 High Similarity NPC34177
0.859 High Similarity NPC130136
0.859 High Similarity NPC40394
0.859 High Similarity NPC90979
0.859 High Similarity NPC472805
0.859 High Similarity NPC331618
0.859 High Similarity NPC101475
0.859 High Similarity NPC212241
0.859 High Similarity NPC157996
0.859 High Similarity NPC34019
0.859 High Similarity NPC257191
0.859 High Similarity NPC477924
0.8588 High Similarity NPC291484
0.8588 High Similarity NPC473956
0.8588 High Similarity NPC3345
0.8588 High Similarity NPC11216
0.8588 High Similarity NPC329596
0.8588 High Similarity NPC475751
0.8588 High Similarity NPC80561
0.8588 High Similarity NPC204188
0.8571 High Similarity NPC474668
0.8571 High Similarity NPC103822
0.8571 High Similarity NPC193360
0.8571 High Similarity NPC200243
0.8571 High Similarity NPC475664
0.8554 High Similarity NPC477604
0.8554 High Similarity NPC24277
0.8554 High Similarity NPC6391
0.8554 High Similarity NPC6605
0.8554 High Similarity NPC261266
0.8553 High Similarity NPC474140
0.8553 High Similarity NPC182717
0.8553 High Similarity NPC195489
0.8553 High Similarity NPC201373
0.8537 High Similarity NPC478102
0.8537 High Similarity NPC15534
0.8537 High Similarity NPC124172
0.8537 High Similarity NPC474047
0.8537 High Similarity NPC231310

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC13554 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
0.9474 High Similarity NPD7525 Registered
0.8816 High Similarity NPD7339 Approved
0.8816 High Similarity NPD6942 Approved
0.8701 High Similarity NPD6933 Approved
0.8462 Intermediate Similarity NPD3701 Clinical (unspecified phase)
0.8442 Intermediate Similarity NPD6926 Approved
0.8442 Intermediate Similarity NPD6924 Approved
0.8375 Intermediate Similarity NPD7645 Phase 2
0.8182 Intermediate Similarity NPD4243 Approved
0.8158 Intermediate Similarity NPD4267 Clinical (unspecified phase)
0.8095 Intermediate Similarity NPD4786 Approved
0.8046 Intermediate Similarity NPD5328 Approved
0.7975 Intermediate Similarity NPD4784 Approved
0.7975 Intermediate Similarity NPD4785 Approved
0.7949 Intermediate Similarity NPD7150 Approved
0.7949 Intermediate Similarity NPD7151 Approved
0.7949 Intermediate Similarity NPD7152 Approved
0.7922 Intermediate Similarity NPD6922 Approved
0.7922 Intermediate Similarity NPD6923 Approved
0.7907 Intermediate Similarity NPD3618 Phase 1
0.7865 Intermediate Similarity NPD6079 Approved
0.7857 Intermediate Similarity NPD3667 Approved
0.7831 Intermediate Similarity NPD7509 Discontinued
0.7831 Intermediate Similarity NPD6930 Phase 2
0.7831 Intermediate Similarity NPD6931 Approved
0.7831 Intermediate Similarity NPD4748 Discontinued
0.7821 Intermediate Similarity NPD7143 Approved
0.7821 Intermediate Similarity NPD7144 Approved
0.7816 Intermediate Similarity NPD4751 Clinical (unspecified phase)
0.7791 Intermediate Similarity NPD7520 Clinical (unspecified phase)
0.7778 Intermediate Similarity NPD4202 Approved
0.7711 Intermediate Similarity NPD6929 Approved
0.7683 Intermediate Similarity NPD6932 Approved
0.7654 Intermediate Similarity NPD5275 Approved
0.7654 Intermediate Similarity NPD4190 Phase 3
0.7614 Intermediate Similarity NPD7524 Approved
0.7558 Intermediate Similarity NPD6695 Phase 3
0.75 Intermediate Similarity NPD6683 Phase 2
0.75 Intermediate Similarity NPD4195 Approved
0.7471 Intermediate Similarity NPD3666 Approved
0.7471 Intermediate Similarity NPD3133 Approved
0.7471 Intermediate Similarity NPD7338 Clinical (unspecified phase)
0.7471 Intermediate Similarity NPD3665 Phase 1
0.747 Intermediate Similarity NPD6925 Approved
0.747 Intermediate Similarity NPD5776 Phase 2
0.7447 Intermediate Similarity NPD4755 Approved
0.7412 Intermediate Similarity NPD7514 Phase 3
0.7386 Intermediate Similarity NPD6893 Approved
0.7381 Intermediate Similarity NPD7322 Clinical (unspecified phase)
0.7381 Intermediate Similarity NPD7145 Approved
0.7375 Intermediate Similarity NPD4787 Phase 1
0.7368 Intermediate Similarity NPD7638 Approved
0.7356 Intermediate Similarity NPD4788 Approved
0.734 Intermediate Similarity NPD5221 Approved
0.734 Intermediate Similarity NPD5222 Approved
0.734 Intermediate Similarity NPD4697 Phase 3
0.734 Intermediate Similarity NPD5220 Clinical (unspecified phase)
0.7292 Intermediate Similarity NPD4700 Approved
0.7292 Intermediate Similarity NPD5285 Approved
0.7292 Intermediate Similarity NPD4696 Approved
0.7292 Intermediate Similarity NPD7640 Approved
0.7292 Intermediate Similarity NPD5286 Approved
0.7292 Intermediate Similarity NPD7639 Approved
0.7283 Intermediate Similarity NPD7515 Phase 2
0.7263 Intermediate Similarity NPD5173 Approved
0.7253 Intermediate Similarity NPD4753 Phase 2
0.7241 Intermediate Similarity NPD4221 Approved
0.7241 Intermediate Similarity NPD4223 Phase 3
0.7222 Intermediate Similarity NPD7750 Discontinued
0.7216 Intermediate Similarity NPD5223 Approved
0.7209 Intermediate Similarity NPD7332 Phase 2
0.7204 Intermediate Similarity NPD6399 Phase 3
0.7191 Intermediate Similarity NPD5329 Approved
0.7143 Intermediate Similarity NPD5224 Approved
0.7143 Intermediate Similarity NPD5211 Phase 2
0.7143 Intermediate Similarity NPD5225 Approved
0.7143 Intermediate Similarity NPD5226 Approved
0.7143 Intermediate Similarity NPD4633 Approved
0.7126 Intermediate Similarity NPD6902 Approved
0.7126 Intermediate Similarity NPD6898 Phase 1
0.7111 Intermediate Similarity NPD5279 Phase 3
0.71 Intermediate Similarity NPD5739 Approved
0.71 Intermediate Similarity NPD7128 Approved
0.71 Intermediate Similarity NPD6675 Approved
0.71 Intermediate Similarity NPD6402 Approved
0.7097 Intermediate Similarity NPD8035 Phase 2
0.7097 Intermediate Similarity NPD8034 Phase 2
0.7079 Intermediate Similarity NPD4197 Approved
0.7079 Intermediate Similarity NPD3668 Phase 3
0.7073 Intermediate Similarity NPD4809 Clinical (unspecified phase)
0.7073 Intermediate Similarity NPD4808 Clinical (unspecified phase)
0.7071 Intermediate Similarity NPD5174 Approved
0.7071 Intermediate Similarity NPD4754 Approved
0.7071 Intermediate Similarity NPD5175 Approved
0.7024 Intermediate Similarity NPD8264 Approved
0.701 Intermediate Similarity NPD5290 Discontinued
0.7 Intermediate Similarity NPD5141 Approved
0.699 Remote Similarity NPD4634 Approved
0.6961 Remote Similarity NPD6881 Approved
0.6961 Remote Similarity NPD7320 Approved
0.6961 Remote Similarity NPD6899 Approved
0.6947 Remote Similarity NPD7748 Approved
0.6941 Remote Similarity NPD6117 Approved
0.6931 Remote Similarity NPD4768 Approved
0.6931 Remote Similarity NPD4767 Approved
0.6923 Remote Similarity NPD4688 Approved
0.6923 Remote Similarity NPD3574 Clinical (unspecified phase)
0.6923 Remote Similarity NPD4138 Approved
0.6923 Remote Similarity NPD4689 Approved
0.6923 Remote Similarity NPD4693 Phase 3
0.6923 Remote Similarity NPD4690 Approved
0.6923 Remote Similarity NPD5205 Approved
0.6915 Remote Similarity NPD7087 Discontinued
0.6907 Remote Similarity NPD6083 Phase 2
0.6907 Remote Similarity NPD6084 Phase 2
0.6905 Remote Similarity NPD6113 Clinical (unspecified phase)
0.6893 Remote Similarity NPD6373 Approved
0.6893 Remote Similarity NPD6372 Approved
0.6882 Remote Similarity NPD6051 Approved
0.6875 Remote Similarity NPD5210 Approved
0.6875 Remote Similarity NPD4629 Approved
0.6869 Remote Similarity NPD4159 Approved
0.6863 Remote Similarity NPD5701 Approved
0.6863 Remote Similarity NPD5697 Approved
0.686 Remote Similarity NPD6116 Phase 1
0.6857 Remote Similarity NPD8297 Approved
0.6852 Remote Similarity NPD7328 Approved
0.6852 Remote Similarity NPD7327 Approved
0.6829 Remote Similarity NPD3700 Clinical (unspecified phase)
0.6829 Remote Similarity NPD3699 Clinical (unspecified phase)
0.6827 Remote Similarity NPD7290 Approved
0.6827 Remote Similarity NPD7102 Approved
0.6827 Remote Similarity NPD6883 Approved
0.6796 Remote Similarity NPD6011 Approved
0.6796 Remote Similarity NPD4730 Approved
0.6796 Remote Similarity NPD4729 Approved
0.6796 Remote Similarity NPD5128 Approved
0.6792 Remote Similarity NPD4632 Approved
0.6789 Remote Similarity NPD7516 Approved
0.6782 Remote Similarity NPD6114 Approved
0.6782 Remote Similarity NPD6118 Approved
0.6782 Remote Similarity NPD6697 Approved
0.6782 Remote Similarity NPD6115 Approved
0.6774 Remote Similarity NPD7513 Clinical (unspecified phase)
0.6774 Remote Similarity NPD4722 Approved
0.6774 Remote Similarity NPD4723 Approved
0.6762 Remote Similarity NPD6869 Approved
0.6762 Remote Similarity NPD6649 Approved
0.6762 Remote Similarity NPD6847 Approved
0.6762 Remote Similarity NPD8130 Phase 1
0.6762 Remote Similarity NPD6650 Approved
0.6762 Remote Similarity NPD6617 Approved
0.6762 Remote Similarity NPD6401 Clinical (unspecified phase)
0.6759 Remote Similarity NPD7115 Discovery
0.6739 Remote Similarity NPD4694 Approved
0.6739 Remote Similarity NPD6409 Approved
0.6739 Remote Similarity NPD5330 Approved
0.6739 Remote Similarity NPD6684 Approved
0.6739 Remote Similarity NPD5690 Phase 2
0.6739 Remote Similarity NPD5280 Approved
0.6739 Remote Similarity NPD7521 Approved
0.6739 Remote Similarity NPD7334 Approved
0.6739 Remote Similarity NPD7146 Approved
0.6735 Remote Similarity NPD7902 Approved
0.6731 Remote Similarity NPD6013 Approved
0.6731 Remote Similarity NPD6012 Approved
0.6731 Remote Similarity NPD6014 Approved
0.6727 Remote Similarity NPD8377 Approved
0.6727 Remote Similarity NPD8294 Approved
0.6707 Remote Similarity NPD5360 Phase 3
0.6707 Remote Similarity NPD5361 Clinical (unspecified phase)
0.6698 Remote Similarity NPD6882 Approved
0.6667 Remote Similarity NPD5169 Approved
0.6667 Remote Similarity NPD8380 Approved
0.6667 Remote Similarity NPD8335 Approved
0.6667 Remote Similarity NPD5247 Approved
0.6667 Remote Similarity NPD8379 Approved
0.6667 Remote Similarity NPD5135 Approved
0.6667 Remote Similarity NPD8296 Approved
0.6667 Remote Similarity NPD5248 Approved
0.6667 Remote Similarity NPD4225 Approved
0.6667 Remote Similarity NPD8033 Approved
0.6667 Remote Similarity NPD5251 Approved
0.6667 Remote Similarity NPD5134 Clinical (unspecified phase)
0.6667 Remote Similarity NPD5250 Approved
0.6667 Remote Similarity NPD5249 Phase 3
0.6667 Remote Similarity NPD8378 Approved
0.6635 Remote Similarity NPD5168 Approved
0.6634 Remote Similarity NPD7632 Discontinued
0.6628 Remote Similarity NPD3703 Phase 2
0.6604 Remote Similarity NPD5215 Approved
0.6604 Remote Similarity NPD5127 Approved
0.6604 Remote Similarity NPD5217 Approved
0.6604 Remote Similarity NPD5216 Approved
0.6596 Remote Similarity NPD6903 Approved
0.6596 Remote Similarity NPD5737 Approved
0.6596 Remote Similarity NPD6672 Approved
0.6591 Remote Similarity NPD3617 Approved
0.6582 Remote Similarity NPD368 Approved
0.6559 Remote Similarity NPD6098 Approved

Structure

External Identifiers

PubChem CID   60201377
ChEMBL   CHEMBL2313414
ZINC  

Physicochemical Properties

Molecular Weight:  460.39
ALogP:  2.413
MLogP:  4.43
XLogP:  8.705
# Rotatable Bonds:  15
Polar Surface Area:  60.69
# H-Bond Aceptor:  3
# H-Bond Donor:  3
# Rings:  4
# Heavy Atoms:  33

Download Data

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