Natural Product: NPC271652

Natural Product ID:  NPC271652
Common Name:   n.a.
IUPAC Name:  
Synonyms:   7-Acetylhorminone; 7Alpha-Acetoxyroyleanone
Molecular Formula:   C22H30O5
Standard InCHIKey:  XDBVTCDGDQLEKG-QLEMLULZSA-N
Standard InCHI:  InChI=1S/C22H30O5/c1-11(2)15-18(24)16-13(27-12(3)23)10-14-21(4,5)8-7-9-22(14,6)17(16)20(26)19(15)25/h11,13-14,25H,7-10H2,1-6H3/t13-,14+,22+/m1/s1
Canonical SMILES:  CC(=O)O[C@@H]1C[C@H]2C(C)(C)CCC[C@@]2(C2=C1C(=O)C(=C(C2=O)O)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
NPO997 Peltodon longipes Species Lamiaceae Eukaryota roots Santa Maria, South Brazil 2007-DEC PMID[21775156]
NPO2190 Persicaria filiformis Species Polygonaceae Eukaryota UNPD*
NPO597 Coprosma australis Species Rubiaceae Eukaryota UNPD*
NPO1397 Cylindrocarpon lucidum Species Nectriaceae Eukaryota UNPD*
NPO21169 Salvia blepharochlaena Species Lamiaceae Eukaryota roots PMID[11325249]
NPO3265 Echinops kebericho Species Asteraceae Eukaryota UNPD*
NPO6152 Ctenodiscus crispatus Species Ctenodiscidae Eukaryota UNPD*
NPO9555 Aplysilla tango Species Darwinellidae Eukaryota UNPD*
NPO3127 Aralia continentalis Species Araliaceae Eukaryota UNPD*
NPO1809 Delphinium scabriflorum Species Ranunculaceae Eukaryota UNPD*
NPO8214 Stylotrichium rotundifolium Species Asteraceae Eukaryota UNPD*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT16 Organism Staphylococcus aureus Staphylococcus aureus MIC = 10 ug/ml 11325249
NPT17 Organism Staphylococcus epidermidis Staphylococcus epidermidis MIC = 6 ug/ml 11325249
NPT79 Organism Bacillus subtilis Bacillus subtilis MIC = 3 ug/ml 11325249
NPT16 Organism Staphylococcus aureus Staphylococcus aureus IZ > 7 mm 11325249
NPT17 Organism Staphylococcus epidermidis Staphylococcus epidermidis IZ > 7 mm 11325249
NPT79 Organism Bacillus subtilis Bacillus subtilis IZ > 7 mm 11325249
NPT783 Cell Line MIA PaCa-2 Homo sapiens IC50 = 4700 nM 21775156
NPT2 Others Unspecified IC50 = 7400 nM 21775156

  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 NPC271652 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
0.954 High Similarity NPC113393
0.9535 High Similarity NPC307298
0.9149 High Similarity NPC80781
0.8977 High Similarity NPC272039
0.8977 High Similarity NPC220930
0.8778 High Similarity NPC280833
0.8511 High Similarity NPC295347
0.8351 Intermediate Similarity NPC476299
0.8351 Intermediate Similarity NPC474012
0.8333 Intermediate Similarity NPC208094
0.8333 Intermediate Similarity NPC474680
0.8295 Intermediate Similarity NPC282293
0.828 Intermediate Similarity NPC472307
0.8276 Intermediate Similarity NPC192329
0.8265 Intermediate Similarity NPC93744
0.8265 Intermediate Similarity NPC476888
0.8261 Intermediate Similarity NPC24816
0.8261 Intermediate Similarity NPC53454
0.8261 Intermediate Similarity NPC143025
0.8247 Intermediate Similarity NPC316598
0.8242 Intermediate Similarity NPC229717
0.8229 Intermediate Similarity NPC17578
0.8229 Intermediate Similarity NPC240673
0.8229 Intermediate Similarity NPC476797
0.8211 Intermediate Similarity NPC474555
0.8211 Intermediate Similarity NPC53685
0.8211 Intermediate Similarity NPC470697
0.8211 Intermediate Similarity NPC184870
0.8182 Intermediate Similarity NPC476890
0.8182 Intermediate Similarity NPC40918
0.8172 Intermediate Similarity NPC5509
0.8163 Intermediate Similarity NPC174314
0.8163 Intermediate Similarity NPC117685
0.8163 Intermediate Similarity NPC54705
0.8161 Intermediate Similarity NPC30321
0.8144 Intermediate Similarity NPC121402
0.8144 Intermediate Similarity NPC224356
0.8144 Intermediate Similarity NPC175351
0.8144 Intermediate Similarity NPC132753
0.8144 Intermediate Similarity NPC53844
0.8144 Intermediate Similarity NPC151681
0.814 Intermediate Similarity NPC92080
0.8132 Intermediate Similarity NPC90287
0.8125 Intermediate Similarity NPC777
0.8111 Intermediate Similarity NPC258985
0.8111 Intermediate Similarity NPC105803
0.8105 Intermediate Similarity NPC477436
0.8105 Intermediate Similarity NPC477435
0.8105 Intermediate Similarity NPC115021
0.81 Intermediate Similarity NPC476889
0.8085 Intermediate Similarity NPC161638
0.8085 Intermediate Similarity NPC51486
0.8085 Intermediate Similarity NPC8062
0.8081 Intermediate Similarity NPC471075
0.8061 Intermediate Similarity NPC478056
0.8043 Intermediate Similarity NPC220478
0.8043 Intermediate Similarity NPC475181
0.8043 Intermediate Similarity NPC322159
0.8041 Intermediate Similarity NPC154526
0.8041 Intermediate Similarity NPC7124
0.8041 Intermediate Similarity NPC328371
0.8041 Intermediate Similarity NPC472362
0.8041 Intermediate Similarity NPC472363
0.8039 Intermediate Similarity NPC91034
0.8021 Intermediate Similarity NPC477439
0.8021 Intermediate Similarity NPC84893
0.8021 Intermediate Similarity NPC474554
0.802 Intermediate Similarity NPC213366
0.8 Intermediate Similarity NPC73457
0.8 Intermediate Similarity NPC308726
0.8 Intermediate Similarity NPC119601
0.8 Intermediate Similarity NPC174167
0.8 Intermediate Similarity NPC470036
0.798 Intermediate Similarity NPC476933
0.798 Intermediate Similarity NPC198880
0.798 Intermediate Similarity NPC327431
0.7959 Intermediate Similarity NPC478233
0.7959 Intermediate Similarity NPC18319
0.7959 Intermediate Similarity NPC121339
0.7957 Intermediate Similarity NPC312561
0.7941 Intermediate Similarity NPC1679
0.7938 Intermediate Similarity NPC173875
0.7938 Intermediate Similarity NPC318282
0.7938 Intermediate Similarity NPC477438
0.7938 Intermediate Similarity NPC477437
0.7938 Intermediate Similarity NPC209355
0.7938 Intermediate Similarity NPC183012
0.7938 Intermediate Similarity NPC469995
0.7938 Intermediate Similarity NPC174948
0.7935 Intermediate Similarity NPC8518
0.7935 Intermediate Similarity NPC132228
0.7935 Intermediate Similarity NPC263997
0.7935 Intermediate Similarity NPC189311
0.7921 Intermediate Similarity NPC95899
0.7921 Intermediate Similarity NPC320154
0.7921 Intermediate Similarity NPC159533
0.7917 Intermediate Similarity NPC263780
0.7917 Intermediate Similarity NPC169343
0.7912 Intermediate Similarity NPC193198
0.7905 Intermediate Similarity NPC324683
0.79 Intermediate Similarity NPC472643
0.79 Intermediate Similarity NPC469657
0.79 Intermediate Similarity NPC323441
0.79 Intermediate Similarity NPC163372
0.79 Intermediate Similarity NPC302537
0.79 Intermediate Similarity NPC244456
0.7895 Intermediate Similarity NPC212679
0.7895 Intermediate Similarity NPC281942
0.7895 Intermediate Similarity NPC232426
0.7895 Intermediate Similarity NPC220454
0.7895 Intermediate Similarity NPC198818
0.7895 Intermediate Similarity NPC477149
0.7895 Intermediate Similarity NPC477147
0.7895 Intermediate Similarity NPC469595
0.7889 Intermediate Similarity NPC55869
0.7879 Intermediate Similarity NPC264378
0.7872 Intermediate Similarity NPC72397
0.7872 Intermediate Similarity NPC476796
0.7865 Intermediate Similarity NPC475681
0.7864 Intermediate Similarity NPC472925
0.7864 Intermediate Similarity NPC475294
0.7857 Intermediate Similarity NPC305483
0.7857 Intermediate Similarity NPC96859
0.7857 Intermediate Similarity NPC3772
0.7857 Intermediate Similarity NPC242848
0.7857 Intermediate Similarity NPC328162
0.7849 Intermediate Similarity NPC250981
0.7843 Intermediate Similarity NPC146731
0.7841 Intermediate Similarity NPC316500
0.7835 Intermediate Similarity NPC476415
0.7835 Intermediate Similarity NPC474882
0.7835 Intermediate Similarity NPC471720
0.7835 Intermediate Similarity NPC38830
0.783 Intermediate Similarity NPC221144
0.7826 Intermediate Similarity NPC60951
0.7826 Intermediate Similarity NPC474359
0.7826 Intermediate Similarity NPC120158
0.7826 Intermediate Similarity NPC475193
0.7822 Intermediate Similarity NPC56498
0.7822 Intermediate Similarity NPC165250
0.7812 Intermediate Similarity NPC472814
0.7812 Intermediate Similarity NPC141831
0.7812 Intermediate Similarity NPC177037
0.7812 Intermediate Similarity NPC477574
0.7812 Intermediate Similarity NPC303697
0.7812 Intermediate Similarity NPC248913
0.781 Intermediate Similarity NPC29133
0.7802 Intermediate Similarity NPC103486
0.78 Intermediate Similarity NPC307954
0.78 Intermediate Similarity NPC205899
0.78 Intermediate Similarity NPC472972
0.78 Intermediate Similarity NPC472644
0.78 Intermediate Similarity NPC88198
0.7789 Intermediate Similarity NPC112454
0.7789 Intermediate Similarity NPC214387
0.7789 Intermediate Similarity NPC168131
0.7789 Intermediate Similarity NPC474700
0.7789 Intermediate Similarity NPC210216
0.7789 Intermediate Similarity NPC284561
0.7788 Intermediate Similarity NPC300614
0.7788 Intermediate Similarity NPC90946
0.7788 Intermediate Similarity NPC322903
0.7788 Intermediate Similarity NPC220155
0.7788 Intermediate Similarity NPC476479
0.7778 Intermediate Similarity NPC26413
0.7778 Intermediate Similarity NPC84335
0.7778 Intermediate Similarity NPC474956
0.7778 Intermediate Similarity NPC320306
0.7778 Intermediate Similarity NPC69385
0.7778 Intermediate Similarity NPC108955
0.7778 Intermediate Similarity NPC106557
0.7778 Intermediate Similarity NPC253826
0.7778 Intermediate Similarity NPC38530
0.7767 Intermediate Similarity NPC477125
0.7766 Intermediate Similarity NPC171722
0.7757 Intermediate Similarity NPC159333
0.7757 Intermediate Similarity NPC472926
0.7755 Intermediate Similarity NPC37646
0.7755 Intermediate Similarity NPC317586
0.7755 Intermediate Similarity NPC473648
0.7755 Intermediate Similarity NPC470016
0.7745 Intermediate Similarity NPC251017
0.7745 Intermediate Similarity NPC230918
0.7745 Intermediate Similarity NPC291154
0.7745 Intermediate Similarity NPC70967
0.7745 Intermediate Similarity NPC33973
0.7745 Intermediate Similarity NPC471208
0.7742 Intermediate Similarity NPC65661
0.7742 Intermediate Similarity NPC241512
0.7742 Intermediate Similarity NPC6185
0.7736 Intermediate Similarity NPC470961
0.7732 Intermediate Similarity NPC139692
0.7732 Intermediate Similarity NPC211230
0.7732 Intermediate Similarity NPC141447
0.7732 Intermediate Similarity NPC470254
0.7723 Intermediate Similarity NPC472637
0.7723 Intermediate Similarity NPC472924
0.7723 Intermediate Similarity NPC99411
0.7723 Intermediate Similarity NPC473514
0.7723 Intermediate Similarity NPC124211

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC271652 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
0.7789 Intermediate Similarity NPD7285 Clinical (unspecified phase)
0.7755 Intermediate Similarity NPD5695 Phase 3
0.7653 Intermediate Similarity NPD7748 Approved
0.7582 Intermediate Similarity NPD4695 Discontinued
0.7556 Intermediate Similarity NPD3617 Approved
0.7553 Intermediate Similarity NPD1694 Approved
0.75 Intermediate Similarity NPD6672 Approved
0.75 Intermediate Similarity NPD5737 Approved
0.7449 Intermediate Similarity NPD7515 Phase 2
0.7449 Intermediate Similarity NPD5693 Phase 1
0.7426 Intermediate Similarity NPD6083 Phase 2
0.7426 Intermediate Similarity NPD6084 Phase 2
0.7426 Intermediate Similarity NPD7902 Approved
0.7419 Intermediate Similarity NPD4752 Clinical (unspecified phase)
0.7387 Intermediate Similarity NPD7115 Discovery
0.7374 Intermediate Similarity NPD6399 Phase 3
0.7353 Intermediate Similarity NPD7638 Approved
0.7353 Intermediate Similarity NPD5696 Approved
0.7353 Intermediate Similarity NPD4225 Approved
0.7292 Intermediate Similarity NPD6684 Approved
0.7292 Intermediate Similarity NPD7146 Approved
0.7292 Intermediate Similarity NPD6409 Approved
0.7292 Intermediate Similarity NPD5330 Approved
0.7292 Intermediate Similarity NPD7521 Approved
0.7292 Intermediate Similarity NPD7334 Approved
0.7292 Intermediate Similarity NPD5279 Phase 3
0.7282 Intermediate Similarity NPD7639 Approved
0.7282 Intermediate Similarity NPD7640 Approved
0.7273 Intermediate Similarity NPD6411 Approved
0.7264 Intermediate Similarity NPD7128 Approved
0.7264 Intermediate Similarity NPD6675 Approved
0.7264 Intermediate Similarity NPD6402 Approved
0.7264 Intermediate Similarity NPD5739 Approved
0.7222 Intermediate Similarity NPD4061 Clinical (unspecified phase)
0.7196 Intermediate Similarity NPD5697 Approved
0.7196 Intermediate Similarity NPD5701 Approved
0.7172 Intermediate Similarity NPD5692 Phase 3
0.7156 Intermediate Similarity NPD5955 Clinical (unspecified phase)
0.7143 Intermediate Similarity NPD7632 Discontinued
0.7143 Intermediate Similarity NPD6903 Approved
0.7143 Intermediate Similarity NPD7513 Clinical (unspecified phase)
0.713 Intermediate Similarity NPD7320 Approved
0.713 Intermediate Similarity NPD6899 Approved
0.713 Intermediate Similarity NPD6011 Approved
0.713 Intermediate Similarity NPD6881 Approved
0.7129 Intermediate Similarity NPD7900 Approved
0.7129 Intermediate Similarity NPD7901 Clinical (unspecified phase)
0.7113 Intermediate Similarity NPD3574 Clinical (unspecified phase)
0.7113 Intermediate Similarity NPD3618 Phase 1
0.71 Intermediate Similarity NPD6050 Approved
0.71 Intermediate Similarity NPD5694 Approved
0.7083 Intermediate Similarity NPD3665 Phase 1
0.7083 Intermediate Similarity NPD3133 Approved
0.7083 Intermediate Similarity NPD3666 Approved
0.7071 Intermediate Similarity NPD4753 Phase 2
0.7071 Intermediate Similarity NPD6101 Approved
0.7071 Intermediate Similarity NPD6904 Approved
0.7071 Intermediate Similarity NPD5764 Clinical (unspecified phase)
0.7071 Intermediate Similarity NPD6673 Approved
0.7071 Intermediate Similarity NPD6080 Approved
0.7064 Intermediate Similarity NPD6373 Approved
0.7064 Intermediate Similarity NPD6372 Approved
0.7064 Intermediate Similarity NPD6012 Approved
0.7064 Intermediate Similarity NPD6014 Approved
0.7064 Intermediate Similarity NPD6013 Approved
0.7053 Intermediate Similarity NPD3667 Approved
0.703 Intermediate Similarity NPD5778 Approved
0.703 Intermediate Similarity NPD5779 Approved
0.7 Intermediate Similarity NPD7102 Approved
0.7 Intermediate Similarity NPD7290 Approved
0.7 Intermediate Similarity NPD5785 Approved
0.7 Intermediate Similarity NPD6883 Approved
0.699 Remote Similarity NPD5220 Clinical (unspecified phase)
0.699 Remote Similarity NPD4697 Phase 3
0.699 Remote Similarity NPD5221 Approved
0.699 Remote Similarity NPD5222 Approved
0.6939 Remote Similarity NPD4694 Approved
0.6939 Remote Similarity NPD5690 Phase 2
0.6939 Remote Similarity NPD5280 Approved
0.6937 Remote Similarity NPD6617 Approved
0.6937 Remote Similarity NPD6869 Approved
0.6937 Remote Similarity NPD6401 Clinical (unspecified phase)
0.6937 Remote Similarity NPD6649 Approved
0.6937 Remote Similarity NPD6847 Approved
0.6937 Remote Similarity NPD6650 Approved
0.6937 Remote Similarity NPD8130 Phase 1
0.6931 Remote Similarity NPD5281 Approved
0.6931 Remote Similarity NPD5284 Approved
0.6923 Remote Similarity NPD4755 Approved
0.6923 Remote Similarity NPD5173 Approved
0.6907 Remote Similarity NPD4786 Approved
0.6907 Remote Similarity NPD4197 Approved
0.69 Remote Similarity NPD5328 Approved
0.6893 Remote Similarity NPD1698 Clinical (unspecified phase)
0.6893 Remote Similarity NPD5654 Approved
0.6881 Remote Similarity NPD5954 Clinical (unspecified phase)
0.6875 Remote Similarity NPD8297 Approved
0.6875 Remote Similarity NPD6882 Approved
0.6869 Remote Similarity NPD3573 Approved
0.6837 Remote Similarity NPD5329 Approved
0.6822 Remote Similarity NPD5211 Phase 2
0.6818 Remote Similarity NPD5345 Clinical (unspecified phase)
0.6818 Remote Similarity NPD6686 Approved
0.6796 Remote Similarity NPD5282 Discontinued
0.6792 Remote Similarity NPD5286 Approved
0.6792 Remote Similarity NPD4700 Approved
0.6792 Remote Similarity NPD5285 Approved
0.6792 Remote Similarity NPD4696 Approved
0.6768 Remote Similarity NPD4623 Approved
0.6768 Remote Similarity NPD4519 Discontinued
0.6768 Remote Similarity NPD6098 Approved
0.6765 Remote Similarity NPD6079 Approved
0.6762 Remote Similarity NPD5959 Approved
0.6752 Remote Similarity NPD6319 Approved
0.6748 Remote Similarity NPD7260 Phase 2
0.6735 Remote Similarity NPD3668 Phase 3
0.6731 Remote Similarity NPD6356 Clinical (unspecified phase)
0.6731 Remote Similarity NPD5210 Approved
0.6731 Remote Similarity NPD4629 Approved
0.6729 Remote Similarity NPD5223 Approved
0.6726 Remote Similarity NPD6053 Discontinued
0.6701 Remote Similarity NPD4223 Phase 3
0.6701 Remote Similarity NPD4221 Approved
0.6699 Remote Similarity NPD4202 Approved
0.6697 Remote Similarity NPD5141 Approved
0.6696 Remote Similarity NPD6274 Approved
0.6696 Remote Similarity NPD6868 Approved
0.6694 Remote Similarity NPD6845 Suspended
0.6667 Remote Similarity NPD5225 Approved
0.6667 Remote Similarity NPD5224 Approved
0.6667 Remote Similarity NPD5207 Approved
0.6667 Remote Similarity NPD4633 Approved
0.6667 Remote Similarity NPD5226 Approved
0.6667 Remote Similarity NPD4632 Approved
0.6667 Remote Similarity NPD7614 Phase 1
0.6638 Remote Similarity NPD8295 Clinical (unspecified phase)
0.6638 Remote Similarity NPD6317 Approved
0.6636 Remote Similarity NPD6008 Approved
0.6634 Remote Similarity NPD5208 Approved
0.6607 Remote Similarity NPD8132 Clinical (unspecified phase)
0.6606 Remote Similarity NPD5175 Approved
0.6606 Remote Similarity NPD5174 Approved
0.6606 Remote Similarity NPD4754 Approved
0.6602 Remote Similarity NPD8034 Phase 2
0.6602 Remote Similarity NPD8035 Phase 2
0.6598 Remote Similarity NPD4139 Approved
0.6598 Remote Similarity NPD4692 Approved
0.6583 Remote Similarity NPD8328 Phase 3
0.6581 Remote Similarity NPD6314 Approved
0.6581 Remote Similarity NPD6335 Approved
0.6581 Remote Similarity NPD6313 Approved
0.6569 Remote Similarity NPD6051 Approved
0.6549 Remote Similarity NPD4634 Approved
0.6538 Remote Similarity NPD5133 Approved
0.6531 Remote Similarity NPD5209 Approved
0.6529 Remote Similarity NPD7492 Approved
0.6526 Remote Similarity NPD4756 Discovery
0.6525 Remote Similarity NPD7101 Approved
0.6525 Remote Similarity NPD7100 Approved
0.6517 Remote Similarity NPD3704 Approved
0.6509 Remote Similarity NPD7732 Phase 3
0.6505 Remote Similarity NPD6698 Approved
0.6505 Remote Similarity NPD46 Approved
0.65 Remote Similarity NPD5363 Approved
0.65 Remote Similarity NPD7520 Clinical (unspecified phase)
0.6496 Remote Similarity NPD6009 Approved
0.6495 Remote Similarity NPD8259 Clinical (unspecified phase)
0.6489 Remote Similarity NPD8039 Approved
0.6486 Remote Similarity NPD4768 Approved
0.6486 Remote Similarity NPD4767 Approved
0.6476 Remote Similarity NPD6001 Approved
0.6475 Remote Similarity NPD6616 Approved
0.6471 Remote Similarity NPD6059 Approved
0.6471 Remote Similarity NPD6054 Approved
0.6442 Remote Similarity NPD7637 Suspended
0.6436 Remote Similarity NPD5205 Approved
0.6436 Remote Similarity NPD4689 Approved
0.6436 Remote Similarity NPD4138 Approved
0.6436 Remote Similarity NPD4693 Phase 3
0.6436 Remote Similarity NPD4688 Approved
0.6436 Remote Similarity NPD4690 Approved
0.6429 Remote Similarity NPD7899 Clinical (unspecified phase)
0.6429 Remote Similarity NPD6412 Phase 2
0.6423 Remote Similarity NPD7078 Approved
0.6423 Remote Similarity NPD8293 Discontinued
0.6417 Remote Similarity NPD5983 Phase 2
0.6417 Remote Similarity NPD6015 Approved
0.6417 Remote Similarity NPD6016 Approved
0.6417 Remote Similarity NPD6291 Clinical (unspecified phase)
0.6417 Remote Similarity NPD6909 Approved
0.6417 Remote Similarity NPD6908 Approved
0.6404 Remote Similarity NPD6371 Approved
0.64 Remote Similarity NPD6400 Clinical (unspecified phase)
0.6372 Remote Similarity NPD5168 Approved
0.6372 Remote Similarity NPD4730 Approved
0.6372 Remote Similarity NPD4729 Approved
0.6372 Remote Similarity NPD5128 Approved
0.6371 Remote Similarity NPD7736 Approved
0.6364 Remote Similarity NPD5988 Approved
0.6364 Remote Similarity NPD4800 Clinical (unspecified phase)

Structure

External Identifiers

PubChem CID  
ChEMBL   CHEMBL516119
ZINC  

Physicochemical Properties

Molecular Weight:  374.21
ALogP:  0.8473
MLogP:  3.33
XLogP:  5.109
# Rotatable Bonds:  10
Polar Surface Area:  80.67
# H-Bond Aceptor:  5
# H-Bond Donor:  1
# Rings:  3
# Heavy Atoms:  27

Download Data

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