Natural Product: NPC470496

Natural Product ID:  NPC470496
Common Name:   (1R,3As,3Bs,5R,5As,8Ar,8Bs,10As)-1-((S)-1-((R)-4,5-Dimethyl-6-Oxo-3,6-Dihydro-2H-Pyran-2-Yl)Ethyl)-5-Hydroxy-8A,10A-Dimethyl-8-Oxohexadecahydrodicyclopenta[A,F]Naphthalene-5A-Carbaldehyde
IUPAC Name:   (3aR,3bS,5aS,6R,8aS,8bS,10R,10aS)-6-[(1S)-1-[(2R)-4,5-dimethyl-6-oxo-2,3-dihydropyran-2-yl]ethyl]-10-hydroxy-3a,5a-dimethyl-3-oxo-1,2,3b,4,5,6,7,8,8a,8b,9,10-dodecahydroindeno[6,7-e]indene-10a-carbaldehyde
Synonyms:  
Molecular Formula:   C28H40O5
Standard InCHIKey:  XTYIOCWTSQNVAO-AUOICCDLSA-N
Standard InCHI:  InChI=1S/C28H40O5/c1-15-12-22(33-25(32)16(15)2)17(3)19-6-7-20-18-13-24(31)28(14-29)11-9-23(30)27(28,5)21(18)8-10-26(19,20)4/h14,17-22,24,31H,6-13H2,1-5H3/t17-,18-,19+,20-,21-,22+,24+,26+,27-,28+/m0/s1
Canonical SMILES:  O=C[C@]12CCC(=O)[C@]2(C)[C@@H]2[C@@H](C[C@H]1O)[C@@H]1CC[C@@H]([C@]1(CC2)C)[C@@H]([C@H]1CC(=C(C(=O)O1)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
NPO20281 Withania aristata Species Solanaceae Eukaryota PMID[22705001]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT189 Cell Line Vero Chlorocebus aethiops IC50 > 40000 nM 16933872
NPT81 Cell Line A549 Homo sapiens IC50 > 40000 nM 22206869
NPT165 Cell Line HeLa Homo sapiens IC50 > 40000 nM 19422205
NPT81 Cell Line A549 Homo sapiens IC50 > 40000 nM Open TG-GATES in vivo data: Hematology
NPT83 Cell Line MCF7 Homo sapiens IC50 > 40000 nM 15787438
NPT189 Cell Line Vero Chlorocebus aethiops IC50 > 40000 nM 16154746
NPT165 Cell Line HeLa Homo sapiens IC50 > 40000 nM 2362268

  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 NPC470496 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
0.9806 High Similarity NPC285956
0.8889 High Similarity NPC69291
0.8545 High Similarity NPC476163
0.8426 Intermediate Similarity NPC473037
0.8393 Intermediate Similarity NPC284915
0.8381 Intermediate Similarity NPC88198
0.8365 Intermediate Similarity NPC106557
0.8365 Intermediate Similarity NPC121339
0.835 Intermediate Similarity NPC255809
0.8318 Intermediate Similarity NPC33973
0.8318 Intermediate Similarity NPC70967
0.8269 Intermediate Similarity NPC40765
0.8269 Intermediate Similarity NPC3772
0.8269 Intermediate Similarity NPC243525
0.8261 Intermediate Similarity NPC42673
0.8261 Intermediate Similarity NPC230513
0.8246 Intermediate Similarity NPC55296
0.8241 Intermediate Similarity NPC216245
0.8241 Intermediate Similarity NPC2436
0.8241 Intermediate Similarity NPC135854
0.8241 Intermediate Similarity NPC470251
0.8224 Intermediate Similarity NPC281702
0.8208 Intermediate Similarity NPC117685
0.8208 Intermediate Similarity NPC157787
0.8208 Intermediate Similarity NPC299971
0.8208 Intermediate Similarity NPC307954
0.8208 Intermediate Similarity NPC144660
0.8198 Intermediate Similarity NPC473036
0.8198 Intermediate Similarity NPC272898
0.819 Intermediate Similarity NPC23680
0.8173 Intermediate Similarity NPC37646
0.8165 Intermediate Similarity NPC51452
0.8158 Intermediate Similarity NPC469794
0.8158 Intermediate Similarity NPC72772
0.8148 Intermediate Similarity NPC251017
0.8148 Intermediate Similarity NPC176883
0.8142 Intermediate Similarity NPC122056
0.8142 Intermediate Similarity NPC472929
0.8137 Intermediate Similarity NPC161638
0.8131 Intermediate Similarity NPC124211
0.8125 Intermediate Similarity NPC474315
0.8125 Intermediate Similarity NPC115303
0.8113 Intermediate Similarity NPC16021
0.8108 Intermediate Similarity NPC474901
0.8108 Intermediate Similarity NPC77947
0.8108 Intermediate Similarity NPC286174
0.8108 Intermediate Similarity NPC475941
0.8095 Intermediate Similarity NPC95565
0.8095 Intermediate Similarity NPC125622
0.8091 Intermediate Similarity NPC470952
0.8091 Intermediate Similarity NPC220974
0.8087 Intermediate Similarity NPC243065
0.8077 Intermediate Similarity NPC184870
0.8077 Intermediate Similarity NPC471720
0.8073 Intermediate Similarity NPC189616
0.8073 Intermediate Similarity NPC28656
0.807 Intermediate Similarity NPC147912
0.807 Intermediate Similarity NPC67259
0.8056 Intermediate Similarity NPC136289
0.8056 Intermediate Similarity NPC56498
0.8056 Intermediate Similarity NPC53222
0.8056 Intermediate Similarity NPC80781
0.8037 Intermediate Similarity NPC201406
0.8037 Intermediate Similarity NPC51370
0.8037 Intermediate Similarity NPC205899
0.8036 Intermediate Similarity NPC129689
0.8036 Intermediate Similarity NPC179642
0.8034 Intermediate Similarity NPC268530
0.8034 Intermediate Similarity NPC154491
0.8034 Intermediate Similarity NPC251226
0.8019 Intermediate Similarity NPC132753
0.8019 Intermediate Similarity NPC175351
0.8019 Intermediate Similarity NPC122294
0.8019 Intermediate Similarity NPC151681
0.8019 Intermediate Similarity NPC121402
0.8019 Intermediate Similarity NPC224356
0.8018 Intermediate Similarity NPC476802
0.8018 Intermediate Similarity NPC295244
0.8018 Intermediate Similarity NPC89171
0.8017 Intermediate Similarity NPC113448
0.8 Intermediate Similarity NPC241156
0.8 Intermediate Similarity NPC317586
0.8 Intermediate Similarity NPC196931
0.8 Intermediate Similarity NPC470016
0.7982 Intermediate Similarity NPC55872
0.7982 Intermediate Similarity NPC476237
0.7982 Intermediate Similarity NPC112009
0.7981 Intermediate Similarity NPC470254
0.7966 Intermediate Similarity NPC159456
0.7966 Intermediate Similarity NPC4021
0.7965 Intermediate Similarity NPC472928
0.7963 Intermediate Similarity NPC310981
0.7963 Intermediate Similarity NPC81530
0.7944 Intermediate Similarity NPC10364
0.7941 Intermediate Similarity NPC80335
0.7931 Intermediate Similarity NPC476965
0.7931 Intermediate Similarity NPC470959
0.7931 Intermediate Similarity NPC167606
0.7931 Intermediate Similarity NPC140055
0.7931 Intermediate Similarity NPC472927
0.7931 Intermediate Similarity NPC286528
0.7931 Intermediate Similarity NPC20302
0.7931 Intermediate Similarity NPC472934
0.7928 Intermediate Similarity NPC91034
0.7928 Intermediate Similarity NPC475294
0.7925 Intermediate Similarity NPC472362
0.7925 Intermediate Similarity NPC7124
0.7925 Intermediate Similarity NPC328371
0.7925 Intermediate Similarity NPC154526
0.7925 Intermediate Similarity NPC472363
0.7917 Intermediate Similarity NPC8369
0.7909 Intermediate Similarity NPC98603
0.7905 Intermediate Similarity NPC166906
0.7899 Intermediate Similarity NPC269642
0.7895 Intermediate Similarity NPC475970
0.7895 Intermediate Similarity NPC147180
0.7895 Intermediate Similarity NPC264634
0.789 Intermediate Similarity NPC32577
0.789 Intermediate Similarity NPC234892
0.789 Intermediate Similarity NPC155332
0.789 Intermediate Similarity NPC114540
0.7885 Intermediate Similarity NPC107690
0.787 Intermediate Similarity NPC198880
0.787 Intermediate Similarity NPC474012
0.787 Intermediate Similarity NPC476274
0.787 Intermediate Similarity NPC470906
0.787 Intermediate Similarity NPC476299
0.787 Intermediate Similarity NPC477521
0.787 Intermediate Similarity NPC287833
0.787 Intermediate Similarity NPC476303
0.7863 Intermediate Similarity NPC709
0.7863 Intermediate Similarity NPC50774
0.7857 Intermediate Similarity NPC220155
0.7857 Intermediate Similarity NPC177064
0.785 Intermediate Similarity NPC18319
0.785 Intermediate Similarity NPC474343
0.785 Intermediate Similarity NPC43747
0.785 Intermediate Similarity NPC216904
0.785 Intermediate Similarity NPC226986
0.785 Intermediate Similarity NPC253826
0.7838 Intermediate Similarity NPC266570
0.7838 Intermediate Similarity NPC60681
0.7833 Intermediate Similarity NPC11895
0.7833 Intermediate Similarity NPC469789
0.783 Intermediate Similarity NPC297199
0.783 Intermediate Similarity NPC318282
0.783 Intermediate Similarity NPC173875
0.783 Intermediate Similarity NPC473648
0.783 Intermediate Similarity NPC469995
0.783 Intermediate Similarity NPC174948
0.7826 Intermediate Similarity NPC73050
0.7826 Intermediate Similarity NPC52634
0.7818 Intermediate Similarity NPC180204
0.7818 Intermediate Similarity NPC36321
0.7818 Intermediate Similarity NPC236390
0.7818 Intermediate Similarity NPC36688
0.7818 Intermediate Similarity NPC120321
0.7818 Intermediate Similarity NPC216114
0.7815 Intermediate Similarity NPC470921
0.781 Intermediate Similarity NPC25750
0.7798 Intermediate Similarity NPC473514
0.7798 Intermediate Similarity NPC476223
0.7798 Intermediate Similarity NPC476240
0.7798 Intermediate Similarity NPC303559
0.7798 Intermediate Similarity NPC224720
0.7797 Intermediate Similarity NPC472933
0.7797 Intermediate Similarity NPC475041
0.7797 Intermediate Similarity NPC476960
0.7797 Intermediate Similarity NPC264954
0.7788 Intermediate Similarity NPC475065
0.7778 Intermediate Similarity NPC57079
0.7778 Intermediate Similarity NPC183580
0.7778 Intermediate Similarity NPC470492
0.7778 Intermediate Similarity NPC176845
0.7778 Intermediate Similarity NPC112753
0.7778 Intermediate Similarity NPC275439
0.7778 Intermediate Similarity NPC108368
0.7778 Intermediate Similarity NPC284068
0.7778 Intermediate Similarity NPC252295
0.7778 Intermediate Similarity NPC470493
0.7778 Intermediate Similarity NPC312824
0.7778 Intermediate Similarity NPC239273
0.7778 Intermediate Similarity NPC98868
0.7769 Intermediate Similarity NPC469790
0.7768 Intermediate Similarity NPC472925
0.7768 Intermediate Similarity NPC330011
0.7768 Intermediate Similarity NPC329048
0.7759 Intermediate Similarity NPC238667
0.7757 Intermediate Similarity NPC96859
0.7757 Intermediate Similarity NPC471039
0.7757 Intermediate Similarity NPC328162
0.7757 Intermediate Similarity NPC13949
0.7757 Intermediate Similarity NPC192428
0.7757 Intermediate Similarity NPC305483
0.775 Intermediate Similarity NPC170538
0.7748 Intermediate Similarity NPC84928
0.7748 Intermediate Similarity NPC294259
0.7748 Intermediate Similarity NPC96268
0.7739 Intermediate Similarity NPC475524
0.7739 Intermediate Similarity NPC100267

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC470496 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
0.7931 Intermediate Similarity NPD7115 Discovery
0.7757 Intermediate Similarity NPD4697 Phase 3
0.7699 Intermediate Similarity NPD7320 Approved
0.7642 Intermediate Similarity NPD6399 Phase 3
0.7632 Intermediate Similarity NPD6373 Approved
0.7632 Intermediate Similarity NPD6372 Approved
0.7615 Intermediate Similarity NPD7638 Approved
0.7545 Intermediate Similarity NPD7640 Approved
0.7545 Intermediate Similarity NPD7639 Approved
0.7524 Intermediate Similarity NPD5328 Approved
0.7522 Intermediate Similarity NPD7128 Approved
0.7522 Intermediate Similarity NPD5739 Approved
0.7522 Intermediate Similarity NPD6402 Approved
0.7522 Intermediate Similarity NPD6675 Approved
0.75 Intermediate Similarity NPD6649 Approved
0.75 Intermediate Similarity NPD6650 Approved
0.7411 Intermediate Similarity NPD7632 Discontinued
0.7391 Intermediate Similarity NPD6899 Approved
0.7391 Intermediate Similarity NPD6881 Approved
0.7383 Intermediate Similarity NPD6079 Approved
0.7381 Intermediate Similarity NPD7319 Approved
0.7304 Intermediate Similarity NPD5701 Approved
0.7304 Intermediate Similarity NPD5697 Approved
0.7297 Intermediate Similarity NPD4225 Approved
0.728 Intermediate Similarity NPD7507 Approved
0.7265 Intermediate Similarity NPD6883 Approved
0.7265 Intermediate Similarity NPD7290 Approved
0.7265 Intermediate Similarity NPD7102 Approved
0.7241 Intermediate Similarity NPD6011 Approved
0.7238 Intermediate Similarity NPD3618 Phase 1
0.7222 Intermediate Similarity NPD8034 Phase 2
0.7222 Intermediate Similarity NPD8035 Phase 2
0.7217 Intermediate Similarity NPD6008 Approved
0.7207 Intermediate Similarity NPD7902 Approved
0.7203 Intermediate Similarity NPD8130 Phase 1
0.7203 Intermediate Similarity NPD6617 Approved
0.7203 Intermediate Similarity NPD6401 Clinical (unspecified phase)
0.7203 Intermediate Similarity NPD6869 Approved
0.7203 Intermediate Similarity NPD6847 Approved
0.7179 Intermediate Similarity NPD6014 Approved
0.7179 Intermediate Similarity NPD6012 Approved
0.7179 Intermediate Similarity NPD6013 Approved
0.7143 Intermediate Similarity NPD5696 Approved
0.7143 Intermediate Similarity NPD6053 Discontinued
0.7143 Intermediate Similarity NPD8297 Approved
0.7143 Intermediate Similarity NPD6882 Approved
0.7117 Intermediate Similarity NPD5222 Approved
0.7117 Intermediate Similarity NPD5220 Clinical (unspecified phase)
0.7117 Intermediate Similarity NPD5221 Approved
0.7103 Intermediate Similarity NPD6903 Approved
0.7091 Intermediate Similarity NPD7748 Approved
0.7064 Intermediate Similarity NPD7515 Phase 2
0.7054 Intermediate Similarity NPD5173 Approved
0.7054 Intermediate Similarity NPD6084 Phase 2
0.7054 Intermediate Similarity NPD6083 Phase 2
0.7054 Intermediate Similarity NPD4755 Approved
0.7048 Intermediate Similarity NPD4786 Approved
0.7027 Intermediate Similarity NPD6356 Clinical (unspecified phase)
0.6981 Remote Similarity NPD7520 Clinical (unspecified phase)
0.6975 Remote Similarity NPD5955 Clinical (unspecified phase)
0.6972 Remote Similarity NPD5785 Approved
0.6967 Remote Similarity NPD6868 Approved
0.6957 Remote Similarity NPD5211 Phase 2
0.6953 Remote Similarity NPD7078 Approved
0.6944 Remote Similarity NPD6672 Approved
0.6944 Remote Similarity NPD5737 Approved
0.6937 Remote Similarity NPD7900 Approved
0.6937 Remote Similarity NPD7901 Clinical (unspecified phase)
0.693 Remote Similarity NPD4700 Approved
0.693 Remote Similarity NPD5286 Approved
0.693 Remote Similarity NPD5285 Approved
0.693 Remote Similarity NPD4696 Approved
0.6929 Remote Similarity NPD7492 Approved
0.6916 Remote Similarity NPD7334 Approved
0.6916 Remote Similarity NPD6684 Approved
0.6916 Remote Similarity NPD7146 Approved
0.6916 Remote Similarity NPD7521 Approved
0.6916 Remote Similarity NPD5330 Approved
0.6916 Remote Similarity NPD6409 Approved
0.6916 Remote Similarity NPD3574 Clinical (unspecified phase)
0.6891 Remote Similarity NPD4061 Clinical (unspecified phase)
0.688 Remote Similarity NPD6319 Approved
0.688 Remote Similarity NPD6054 Approved
0.688 Remote Similarity NPD6059 Approved
0.6875 Remote Similarity NPD1698 Clinical (unspecified phase)
0.6875 Remote Similarity NPD6616 Approved
0.687 Remote Similarity NPD5223 Approved
0.6857 Remote Similarity NPD3667 Approved
0.6855 Remote Similarity NPD6335 Approved
0.6847 Remote Similarity NPD4202 Approved
0.6838 Remote Similarity NPD5141 Approved
0.6829 Remote Similarity NPD6274 Approved
0.6825 Remote Similarity NPD6291 Clinical (unspecified phase)
0.6822 Remote Similarity NPD8293 Discontinued
0.6822 Remote Similarity NPD1694 Approved
0.681 Remote Similarity NPD5225 Approved
0.681 Remote Similarity NPD4633 Approved
0.681 Remote Similarity NPD5226 Approved
0.681 Remote Similarity NPD5224 Approved
0.6807 Remote Similarity NPD5345 Clinical (unspecified phase)
0.6803 Remote Similarity NPD4632 Approved
0.68 Remote Similarity NPD7101 Approved
0.68 Remote Similarity NPD7100 Approved
0.6789 Remote Similarity NPD7513 Clinical (unspecified phase)
0.6774 Remote Similarity NPD6317 Approved
0.6772 Remote Similarity NPD6370 Approved
0.6769 Remote Similarity NPD7736 Approved
0.6765 Remote Similarity NPD6117 Approved
0.6759 Remote Similarity NPD5786 Approved
0.6757 Remote Similarity NPD5693 Phase 1
0.6757 Remote Similarity NPD6411 Approved
0.6752 Remote Similarity NPD4754 Approved
0.6752 Remote Similarity NPD5174 Approved
0.6752 Remote Similarity NPD5175 Approved
0.6729 Remote Similarity NPD3665 Phase 1
0.6729 Remote Similarity NPD3133 Approved
0.6729 Remote Similarity NPD3666 Approved
0.6726 Remote Similarity NPD5695 Phase 3
0.6726 Remote Similarity NPD5210 Approved
0.6726 Remote Similarity NPD4629 Approved
0.6723 Remote Similarity NPD5954 Clinical (unspecified phase)
0.672 Remote Similarity NPD6314 Approved
0.672 Remote Similarity NPD6313 Approved
0.6699 Remote Similarity NPD6116 Phase 1
0.6698 Remote Similarity NPD4752 Clinical (unspecified phase)
0.6694 Remote Similarity NPD4634 Approved
0.6693 Remote Similarity NPD6909 Approved
0.6693 Remote Similarity NPD6908 Approved
0.6693 Remote Similarity NPD6015 Approved
0.6693 Remote Similarity NPD6016 Approved
0.6641 Remote Similarity NPD5988 Approved
0.664 Remote Similarity NPD6009 Approved
0.6639 Remote Similarity NPD4768 Approved
0.6639 Remote Similarity NPD4767 Approved
0.6637 Remote Similarity NPD6001 Approved
0.6635 Remote Similarity NPD6697 Approved
0.6635 Remote Similarity NPD6114 Approved
0.6635 Remote Similarity NPD6115 Approved
0.6635 Remote Similarity NPD6118 Approved
0.6607 Remote Similarity NPD7637 Suspended
0.6589 Remote Similarity NPD7604 Phase 2
0.6577 Remote Similarity NPD6101 Approved
0.6577 Remote Similarity NPD6904 Approved
0.6577 Remote Similarity NPD6673 Approved
0.6577 Remote Similarity NPD5764 Clinical (unspecified phase)
0.6577 Remote Similarity NPD6080 Approved
0.6577 Remote Similarity NPD4753 Phase 2
0.6569 Remote Similarity NPD6113 Clinical (unspecified phase)
0.6567 Remote Similarity NPD6845 Suspended
0.6562 Remote Similarity NPD5983 Phase 2
0.6549 Remote Similarity NPD5779 Approved
0.6549 Remote Similarity NPD5778 Approved
0.6545 Remote Similarity NPD3573 Approved
0.6529 Remote Similarity NPD4730 Approved
0.6529 Remote Similarity NPD5128 Approved
0.6529 Remote Similarity NPD6686 Approved
0.6529 Remote Similarity NPD5168 Approved
0.6529 Remote Similarity NPD4729 Approved
0.6515 Remote Similarity NPD6033 Approved
0.6514 Remote Similarity NPD5363 Approved
0.6508 Remote Similarity NPD8295 Clinical (unspecified phase)
0.6493 Remote Similarity NPD7260 Phase 2
0.6489 Remote Similarity NPD6336 Discontinued
0.6476 Remote Similarity NPD3617 Approved
0.6475 Remote Similarity NPD8132 Clinical (unspecified phase)
0.6462 Remote Similarity NPD8328 Phase 3
0.646 Remote Similarity NPD5281 Approved
0.646 Remote Similarity NPD5284 Approved
0.6457 Remote Similarity NPD7327 Approved
0.6457 Remote Similarity NPD7328 Approved
0.6455 Remote Similarity NPD5279 Phase 3
0.6434 Remote Similarity NPD8033 Approved
0.6429 Remote Similarity NPD6051 Approved
0.6423 Remote Similarity NPD5250 Approved
0.6423 Remote Similarity NPD5249 Phase 3
0.6423 Remote Similarity NPD5247 Approved
0.6423 Remote Similarity NPD5135 Approved
0.6423 Remote Similarity NPD5169 Approved
0.6423 Remote Similarity NPD5248 Approved
0.6423 Remote Similarity NPD5251 Approved
0.6423 Remote Similarity NPD5134 Clinical (unspecified phase)
0.6422 Remote Similarity NPD3668 Phase 3
0.6406 Remote Similarity NPD7516 Approved
0.6389 Remote Similarity NPD4221 Approved
0.6389 Remote Similarity NPD4223 Phase 3
0.6389 Remote Similarity NPD4269 Approved
0.6389 Remote Similarity NPD4270 Approved
0.6373 Remote Similarity NPD4808 Clinical (unspecified phase)
0.6373 Remote Similarity NPD6081 Approved
0.6373 Remote Similarity NPD4809 Clinical (unspecified phase)
0.6372 Remote Similarity NPD5207 Approved
0.6371 Remote Similarity NPD5217 Approved
0.6371 Remote Similarity NPD5215 Approved
0.6371 Remote Similarity NPD5216 Approved
0.6371 Remote Similarity NPD5127 Approved
0.6364 Remote Similarity NPD6082 Clinical (unspecified phase)
0.6364 Remote Similarity NPD5329 Approved
0.6357 Remote Similarity NPD8377 Approved
0.6357 Remote Similarity NPD8294 Approved
0.6355 Remote Similarity NPD7525 Registered

Structure

External Identifiers

PubChem CID   70690366
ChEMBL   CHEMBL2047423
ZINC  

Physicochemical Properties

Molecular Weight:  456.29
ALogP:  1.3956
MLogP:  3.99
XLogP:  4.806
# Rotatable Bonds:  9
Polar Surface Area:  80.67
# H-Bond Aceptor:  5
# H-Bond Donor:  1
# Rings:  5
# Heavy Atoms:  33

Download Data

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