Natural Product: NPC474438

Natural Product ID:  NPC474438
Common Name:   5-((2R,E)-13-(Furan-3-Yl)-10-Hydroxy-2,6,10-Trimethyltridec-6-Enylidene)-4-Hydroxy-3-Methylfuran-2(5H)-One
IUPAC Name:   (5Z)-5-[(E,2R)-13-(furan-3-yl)-10-hydroxy-2,6,10-trimethyltridec-6-enylidene]-4-hydroxy-3-methylfuran-2-one
Synonyms:  
Molecular Formula:   C25H36O5
Standard InCHIKey:  QFBUNOKEKXMSCV-UJUPYIFSSA-N
Standard InCHI:  InChI=1S/C25H36O5/c1-18(8-5-9-19(2)16-22-23(26)20(3)24(27)30-22)10-6-13-25(4,28)14-7-11-21-12-15-29-17-21/h10,12,15-17,19,26,28H,5-9,11,13-14H2,1-4H3/b18-10+,22-16-/t19-,25?/m1/s1
Canonical SMILES:  C/C(=CCCC(CCCc1cocc1)(O)C)/CCC[C@H](/C=C/1OC(=O)C(=C1O)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
NPO33064 sarcotragus sp. Species Irciniidae Eukaryota PMID[18341287]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT1087 Individual Protein Isocitrate lyase Candida albicans IC50 = 23.2 ug/ml 18430569
NPT111 Cell Line K562 Homo sapiens LC50 > 100 ug/ml 18430569
NPT79 Organism Bacillus subtilis Bacillus subtilis MIC > 100 ug/ml 12713401
NPT19 Organism Escherichia coli Escherichia coli MIC > 100 ug/ml 8350093
NPT729 Organism Micrococcus luteus Micrococcus luteus MIC = 100 ug/ml 16180826
NPT16 Organism Staphylococcus aureus Staphylococcus aureus MIC > 100 ug/ml 24901800
NPT16 Organism Staphylococcus aureus Staphylococcus aureus MIC > 100 ug/ml 23327668
NPT766 Organism Proteus vulgaris Proteus vulgaris MIC > 100 ug/ml 23327668
NPT16 Organism Staphylococcus aureus Staphylococcus aureus MIC = 100 ug/ml 23434131
NPT566 Organism Salmonella typhimurium Salmonella enterica subsp. enterica serovar Typhimurium MIC > 100 ug/ml Open TG-GATES in vivo data: Hematology

  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 NPC474438 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 NPC474279
0.9752 High Similarity NPC476016
0.975 High Similarity NPC71274
0.975 High Similarity NPC75557
0.9669 High Similarity NPC474260
0.9669 High Similarity NPC329694
0.9669 High Similarity NPC81912
0.9669 High Similarity NPC329922
0.9583 High Similarity NPC476351
0.95 High Similarity NPC289911
0.95 High Similarity NPC283284
0.9421 High Similarity NPC475818
0.9417 High Similarity NPC474136
0.9274 High Similarity NPC474830
0.9174 High Similarity NPC474817
0.9113 High Similarity NPC474829
0.9091 High Similarity NPC473969
0.9083 High Similarity NPC208906
0.9083 High Similarity NPC144745
0.9062 High Similarity NPC97740
0.9008 High Similarity NPC170604
0.9008 High Similarity NPC215109
0.8992 High Similarity NPC474407
0.8992 High Similarity NPC474426
0.8992 High Similarity NPC474425
0.8984 High Similarity NPC17681
0.896 High Similarity NPC471559
0.8926 High Similarity NPC131801
0.8915 High Similarity NPC45358
0.888 High Similarity NPC243269
0.8819 High Similarity NPC473355
0.8819 High Similarity NPC471554
0.8819 High Similarity NPC471573
0.8819 High Similarity NPC471501
0.873 High Similarity NPC118853
0.872 High Similarity NPC473379
0.872 High Similarity NPC471549
0.8712 High Similarity NPC14650
0.8672 High Similarity NPC137570
0.8667 High Similarity NPC26157
0.8667 High Similarity NPC1811
0.8647 High Similarity NPC303217
0.8636 High Similarity NPC288209
0.8583 High Similarity NPC188377
0.8583 High Similarity NPC65735
0.8583 High Similarity NPC105249
0.8462 Intermediate Similarity NPC112706
0.8462 Intermediate Similarity NPC207294
0.8456 Intermediate Similarity NPC107571
0.845 Intermediate Similarity NPC138139
0.845 Intermediate Similarity NPC46536
0.8444 Intermediate Similarity NPC473268
0.8409 Intermediate Similarity NPC89133
0.84 Intermediate Similarity NPC21831
0.84 Intermediate Similarity NPC187547
0.8385 Intermediate Similarity NPC83178
0.8346 Intermediate Similarity NPC471544
0.8346 Intermediate Similarity NPC473344
0.8346 Intermediate Similarity NPC471545
0.8333 Intermediate Similarity NPC471521
0.8333 Intermediate Similarity NPC473356
0.8306 Intermediate Similarity NPC28054
0.8296 Intermediate Similarity NPC159786
0.8286 Intermediate Similarity NPC307346
0.8286 Intermediate Similarity NPC218712
0.8286 Intermediate Similarity NPC261733
0.8286 Intermediate Similarity NPC267004
0.8281 Intermediate Similarity NPC477967
0.8264 Intermediate Similarity NPC177331
0.8231 Intermediate Similarity NPC179354
0.8217 Intermediate Similarity NPC16922
0.8203 Intermediate Similarity NPC1848
0.8189 Intermediate Similarity NPC4898
0.8188 Intermediate Similarity NPC90953
0.8168 Intermediate Similarity NPC23086
0.8162 Intermediate Similarity NPC476947
0.814 Intermediate Similarity NPC263870
0.8088 Intermediate Similarity NPC106247
0.8085 Intermediate Similarity NPC80635
0.8085 Intermediate Similarity NPC254198
0.8074 Intermediate Similarity NPC473982
0.8062 Intermediate Similarity NPC79557
0.8043 Intermediate Similarity NPC186626
0.8042 Intermediate Similarity NPC104924
0.8031 Intermediate Similarity NPC312525
0.8031 Intermediate Similarity NPC217180
0.803 Intermediate Similarity NPC74612
0.8016 Intermediate Similarity NPC150895
0.8015 Intermediate Similarity NPC477965
0.8015 Intermediate Similarity NPC470740
0.8015 Intermediate Similarity NPC218838
0.8015 Intermediate Similarity NPC477038
0.8014 Intermediate Similarity NPC121158
0.8 Intermediate Similarity NPC136340
0.8 Intermediate Similarity NPC69647
0.8 Intermediate Similarity NPC234494
0.8 Intermediate Similarity NPC125182
0.8 Intermediate Similarity NPC298190
0.8 Intermediate Similarity NPC317217
0.7986 Intermediate Similarity NPC255414
0.797 Intermediate Similarity NPC95567
0.797 Intermediate Similarity NPC319140
0.7969 Intermediate Similarity NPC243704
0.7969 Intermediate Similarity NPC291619
0.7969 Intermediate Similarity NPC254958
0.7959 Intermediate Similarity NPC474219
0.7959 Intermediate Similarity NPC33938
0.7959 Intermediate Similarity NPC474378
0.7958 Intermediate Similarity NPC476946
0.7953 Intermediate Similarity NPC45536
0.7945 Intermediate Similarity NPC228842
0.7941 Intermediate Similarity NPC471817
0.7929 Intermediate Similarity NPC202260
0.7917 Intermediate Similarity NPC346
0.791 Intermediate Similarity NPC477966
0.791 Intermediate Similarity NPC477039
0.791 Intermediate Similarity NPC477040
0.791 Intermediate Similarity NPC477123
0.7902 Intermediate Similarity NPC137295
0.7902 Intermediate Similarity NPC251865
0.7899 Intermediate Similarity NPC92941
0.7891 Intermediate Similarity NPC227660
0.7879 Intermediate Similarity NPC130275
0.7874 Intermediate Similarity NPC205523
0.7868 Intermediate Similarity NPC475092
0.7868 Intermediate Similarity NPC61788
0.7852 Intermediate Similarity NPC223063
0.7852 Intermediate Similarity NPC120836
0.7847 Intermediate Similarity NPC195920
0.7847 Intermediate Similarity NPC34056
0.7842 Intermediate Similarity NPC146872
0.7838 Intermediate Similarity NPC121615
0.7838 Intermediate Similarity NPC294511
0.7838 Intermediate Similarity NPC268905
0.7838 Intermediate Similarity NPC44577
0.7836 Intermediate Similarity NPC290955
0.7832 Intermediate Similarity NPC267632
0.7823 Intermediate Similarity NPC470997
0.7815 Intermediate Similarity NPC472779
0.7812 Intermediate Similarity NPC476031
0.7812 Intermediate Similarity NPC476014
0.7808 Intermediate Similarity NPC7388
0.78 Intermediate Similarity NPC469485
0.7794 Intermediate Similarity NPC21460
0.7794 Intermediate Similarity NPC476925
0.7786 Intermediate Similarity NPC470742
0.7786 Intermediate Similarity NPC307401
0.7786 Intermediate Similarity NPC278832
0.7786 Intermediate Similarity NPC64157
0.7785 Intermediate Similarity NPC34421
0.7785 Intermediate Similarity NPC237259
0.7785 Intermediate Similarity NPC302054
0.7785 Intermediate Similarity NPC253201
0.7785 Intermediate Similarity NPC98206
0.7778 Intermediate Similarity NPC476917
0.7778 Intermediate Similarity NPC327527
0.7778 Intermediate Similarity NPC26532
0.7778 Intermediate Similarity NPC329707
0.7778 Intermediate Similarity NPC476944
0.7778 Intermediate Similarity NPC279877
0.777 Intermediate Similarity NPC158525
0.7762 Intermediate Similarity NPC52412
0.7755 Intermediate Similarity NPC470998
0.7748 Intermediate Similarity NPC194499
0.7748 Intermediate Similarity NPC472777
0.7748 Intermediate Similarity NPC472778
0.7748 Intermediate Similarity NPC472776
0.7748 Intermediate Similarity NPC7059
0.7748 Intermediate Similarity NPC173544
0.7748 Intermediate Similarity NPC88007
0.7748 Intermediate Similarity NPC470118
0.7748 Intermediate Similarity NPC261597
0.7746 Intermediate Similarity NPC67003
0.7746 Intermediate Similarity NPC90296
0.7746 Intermediate Similarity NPC56197
0.7746 Intermediate Similarity NPC282973
0.7746 Intermediate Similarity NPC148374
0.774 Intermediate Similarity NPC216755
0.774 Intermediate Similarity NPC250228
0.774 Intermediate Similarity NPC471174
0.7737 Intermediate Similarity NPC477645
0.7733 Intermediate Similarity NPC296807
0.7733 Intermediate Similarity NPC44675
0.7733 Intermediate Similarity NPC155939
0.7733 Intermediate Similarity NPC214541
0.7733 Intermediate Similarity NPC141538
0.773 Intermediate Similarity NPC236532
0.7727 Intermediate Similarity NPC36255
0.7724 Intermediate Similarity NPC5676
0.7724 Intermediate Similarity NPC469642
0.7721 Intermediate Similarity NPC208389
0.7718 Intermediate Similarity NPC472672
0.7714 Intermediate Similarity NPC204592
0.7714 Intermediate Similarity NPC46896
0.7708 Intermediate Similarity NPC22248
0.7708 Intermediate Similarity NPC110305
0.7704 Intermediate Similarity NPC474476
0.7704 Intermediate Similarity NPC246392
0.7703 Intermediate Similarity NPC212257
0.7692 Intermediate Similarity NPC293424

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC474438 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
0.7676 Intermediate Similarity NPD2343 Clinical (unspecified phase)
0.7517 Intermediate Similarity NPD4628 Phase 3
0.7447 Intermediate Similarity NPD6355 Discontinued
0.7279 Intermediate Similarity NPD9717 Approved
0.7273 Intermediate Similarity NPD5761 Phase 2
0.7273 Intermediate Similarity NPD5760 Phase 2
0.7214 Intermediate Similarity NPD6832 Phase 2
0.7194 Intermediate Similarity NPD5647 Approved
0.7172 Intermediate Similarity NPD4308 Phase 3
0.7172 Intermediate Similarity NPD2799 Discontinued
0.7153 Intermediate Similarity NPD6653 Approved
0.7122 Intermediate Similarity NPD2797 Approved
0.7121 Intermediate Similarity NPD690 Clinical (unspecified phase)
0.7113 Intermediate Similarity NPD6798 Discontinued
0.7095 Intermediate Similarity NPD7421 Clinical (unspecified phase)
0.7083 Intermediate Similarity NPD447 Suspended
0.7024 Intermediate Similarity NPD8434 Phase 2
0.7021 Intermediate Similarity NPD9494 Approved
0.702 Intermediate Similarity NPD6143 Clinical (unspecified phase)
0.7007 Intermediate Similarity NPD1551 Phase 2
0.7 Intermediate Similarity NPD1203 Approved
0.7 Intermediate Similarity NPD2354 Approved
0.6993 Remote Similarity NPD3268 Approved
0.6993 Remote Similarity NPD2313 Discontinued
0.6963 Remote Similarity NPD9092 Discovery
0.6959 Remote Similarity NPD6002 Phase 3
0.6959 Remote Similarity NPD6004 Phase 3
0.6959 Remote Similarity NPD6003 Clinical (unspecified phase)
0.6959 Remote Similarity NPD6006 Clinical (unspecified phase)
0.6959 Remote Similarity NPD6005 Phase 3
0.6959 Remote Similarity NPD2344 Approved
0.6944 Remote Similarity NPD4062 Phase 3
0.6944 Remote Similarity NPD6233 Phase 2
0.6943 Remote Similarity NPD7096 Clinical (unspecified phase)
0.6928 Remote Similarity NPD6273 Approved
0.6928 Remote Similarity NPD6765 Approved
0.6928 Remote Similarity NPD6764 Approved
0.6923 Remote Similarity NPD7095 Approved
0.6918 Remote Similarity NPD7075 Discontinued
0.6917 Remote Similarity NPD1241 Discontinued
0.6912 Remote Similarity NPD9545 Approved
0.6908 Remote Similarity NPD6799 Approved
0.6906 Remote Similarity NPD1608 Approved
0.6903 Remote Similarity NPD7458 Discontinued
0.6897 Remote Similarity NPD4307 Phase 2
0.6892 Remote Similarity NPD2935 Discontinued
0.6887 Remote Similarity NPD3887 Approved
0.6884 Remote Similarity NPD3496 Discontinued
0.6875 Remote Similarity NPD411 Approved
0.6875 Remote Similarity NPD3764 Approved
0.6846 Remote Similarity NPD1358 Approved
0.6842 Remote Similarity NPD7440 Discontinued
0.6842 Remote Similarity NPD7843 Approved
0.6831 Remote Similarity NPD2798 Approved
0.6831 Remote Similarity NPD1019 Discontinued
0.6826 Remote Similarity NPD6559 Discontinued
0.6821 Remote Similarity NPD4109 Clinical (unspecified phase)
0.6821 Remote Similarity NPD4110 Phase 3
0.6821 Remote Similarity NPD6398 Clinical (unspecified phase)
0.6818 Remote Similarity NPD5049 Phase 3
0.6818 Remote Similarity NPD2181 Clinical (unspecified phase)
0.6815 Remote Similarity NPD7157 Approved
0.6806 Remote Similarity NPD5952 Clinical (unspecified phase)
0.68 Remote Similarity NPD5958 Discontinued
0.6795 Remote Similarity NPD5808 Clinical (unspecified phase)
0.6794 Remote Similarity NPD2684 Approved
0.6788 Remote Similarity NPD1894 Discontinued
0.6781 Remote Similarity NPD4060 Phase 1
0.6776 Remote Similarity NPD2309 Approved
0.6774 Remote Similarity NPD920 Approved
0.6774 Remote Similarity NPD5403 Approved
0.6769 Remote Similarity NPD3134 Approved
0.6765 Remote Similarity NPD6785 Approved
0.6765 Remote Similarity NPD6784 Approved
0.6765 Remote Similarity NPD9493 Approved
0.6761 Remote Similarity NPD6362 Approved
0.6759 Remote Similarity NPD6859 Clinical (unspecified phase)
0.6757 Remote Similarity NPD7097 Phase 1
0.6752 Remote Similarity NPD6599 Discontinued
0.6735 Remote Similarity NPD1899 Clinical (unspecified phase)
0.6735 Remote Similarity NPD1933 Approved
0.6733 Remote Similarity NPD2353 Approved
0.6733 Remote Similarity NPD2346 Discontinued
0.6733 Remote Similarity NPD2355 Clinical (unspecified phase)
0.6732 Remote Similarity NPD643 Clinical (unspecified phase)
0.673 Remote Similarity NPD1006 Clinical (unspecified phase)
0.6714 Remote Similarity NPD1547 Clinical (unspecified phase)
0.6711 Remote Similarity NPD7003 Approved
0.6711 Remote Similarity NPD7033 Discontinued
0.6711 Remote Similarity NPD3750 Approved
0.6691 Remote Similarity NPD17 Approved
0.6691 Remote Similarity NPD1778 Approved
0.669 Remote Similarity NPD1876 Approved
0.6689 Remote Similarity NPD4534 Discontinued
0.6667 Remote Similarity NPD6801 Discontinued
0.6667 Remote Similarity NPD1481 Phase 2
0.6667 Remote Similarity NPD919 Approved
0.6646 Remote Similarity NPD3882 Suspended
0.6646 Remote Similarity NPD4868 Clinical (unspecified phase)
0.6646 Remote Similarity NPD7768 Phase 2
0.6645 Remote Similarity NPD5401 Approved
0.6645 Remote Similarity NPD642 Clinical (unspecified phase)
0.6643 Remote Similarity NPD987 Approved
0.6643 Remote Similarity NPD1049 Clinical (unspecified phase)
0.6643 Remote Similarity NPD3267 Approved
0.6643 Remote Similarity NPD3266 Approved
0.6625 Remote Similarity NPD7819 Suspended
0.6623 Remote Similarity NPD5762 Approved
0.6623 Remote Similarity NPD5763 Approved
0.6621 Remote Similarity NPD2614 Approved
0.6619 Remote Similarity NPD5585 Approved
0.6617 Remote Similarity NPD2067 Discontinued
0.6605 Remote Similarity NPD3749 Approved
0.6604 Remote Similarity NPD7411 Suspended
0.6601 Remote Similarity NPD1878 Clinical (unspecified phase)
0.6597 Remote Similarity NPD6007 Clinical (unspecified phase)
0.6596 Remote Similarity NPD1535 Discovery
0.6584 Remote Similarity NPD5402 Approved
0.6579 Remote Similarity NPD2424 Discontinued
0.6573 Remote Similarity NPD1283 Approved
0.6566 Remote Similarity NPD4575 Clinical (unspecified phase)
0.6564 Remote Similarity NPD5537 Clinical (unspecified phase)
0.6556 Remote Similarity NPD2239 Approved
0.6556 Remote Similarity NPD4477 Approved
0.6556 Remote Similarity NPD2240 Approved
0.6556 Remote Similarity NPD4476 Approved
0.6549 Remote Similarity NPD3972 Approved
0.6541 Remote Similarity NPD2182 Approved
0.6538 Remote Similarity NPD4661 Approved
0.6538 Remote Similarity NPD4662 Approved
0.6538 Remote Similarity NPD7004 Clinical (unspecified phase)
0.6536 Remote Similarity NPD1243 Approved
0.6525 Remote Similarity NPD3847 Discontinued
0.6513 Remote Similarity NPD1471 Phase 3
0.651 Remote Similarity NPD230 Phase 1
0.6503 Remote Similarity NPD4381 Clinical (unspecified phase)
0.6503 Remote Similarity NPD4379 Clinical (unspecified phase)
0.6503 Remote Similarity NPD8005 Clinical (unspecified phase)
0.65 Remote Similarity NPD6677 Suspended
0.6496 Remote Similarity NPD2629 Approved
0.6494 Remote Similarity NPD8166 Discontinued
0.649 Remote Similarity NPD3748 Approved
0.6486 Remote Similarity NPD8032 Phase 2
0.6485 Remote Similarity NPD8127 Discontinued
0.6481 Remote Similarity NPD3817 Phase 2
0.6481 Remote Similarity NPD5616 Clinical (unspecified phase)
0.6478 Remote Similarity NPD3226 Approved
0.6471 Remote Similarity NPD970 Clinical (unspecified phase)
0.6471 Remote Similarity NPD5535 Approved
0.6471 Remote Similarity NPD1549 Phase 2
0.6466 Remote Similarity NPD290 Approved
0.6463 Remote Similarity NPD2598 Clinical (unspecified phase)
0.646 Remote Similarity NPD1934 Approved
0.646 Remote Similarity NPD7577 Discontinued
0.6458 Remote Similarity NPD3225 Approved
0.6456 Remote Similarity NPD6980 Clinical (unspecified phase)
0.6454 Remote Similarity NPD4626 Approved
0.6449 Remote Similarity NPD6671 Approved
0.6447 Remote Similarity NPD2796 Approved
0.6447 Remote Similarity NPD1501 Clinical (unspecified phase)
0.6447 Remote Similarity NPD6032 Approved
0.6447 Remote Similarity NPD2438 Suspended
0.6443 Remote Similarity NPD3140 Approved
0.6443 Remote Similarity NPD3142 Approved
0.6443 Remote Similarity NPD2979 Phase 3
0.6438 Remote Similarity NPD4380 Phase 2
0.6438 Remote Similarity NPD454 Approved
0.6433 Remote Similarity NPD4378 Clinical (unspecified phase)
0.6433 Remote Similarity NPD2533 Approved
0.6433 Remote Similarity NPD2532 Approved
0.6433 Remote Similarity NPD2534 Approved
0.642 Remote Similarity NPD2393 Clinical (unspecified phase)
0.6418 Remote Similarity NPD6831 Clinical (unspecified phase)
0.6405 Remote Similarity NPD1550 Clinical (unspecified phase)
0.6405 Remote Similarity NPD1552 Clinical (unspecified phase)
0.6405 Remote Similarity NPD6800 Clinical (unspecified phase)
0.64 Remote Similarity NPD4340 Discontinued
0.64 Remote Similarity NPD4618 Approved
0.64 Remote Similarity NPD4622 Approved
0.6398 Remote Similarity NPD958 Approved
0.6391 Remote Similarity NPD3818 Discontinued
0.6389 Remote Similarity NPD4359 Approved
0.6386 Remote Similarity NPD7199 Phase 2
0.6383 Remote Similarity NPD5691 Approved
0.6382 Remote Similarity NPD1510 Phase 2
0.638 Remote Similarity NPD8443 Clinical (unspecified phase)
0.6379 Remote Similarity NPD8055 Clinical (unspecified phase)
0.6375 Remote Similarity NPD2649 Approved
0.6375 Remote Similarity NPD3455 Phase 2
0.6375 Remote Similarity NPD2651 Approved
0.6364 Remote Similarity NPD1281 Approved
0.6364 Remote Similarity NPD2897 Discontinued
0.6364 Remote Similarity NPD7596 Clinical (unspecified phase)
0.6358 Remote Similarity NPD8313 Approved
0.6358 Remote Similarity NPD8312 Approved
0.6353 Remote Similarity NPD5844 Phase 1
0.6352 Remote Similarity NPD3873 Phase 3
0.6352 Remote Similarity NPD3869 Phase 3
0.6347 Remote Similarity NPD6808 Phase 2
0.634 Remote Similarity NPD5712 Approved

Structure

External Identifiers

PubChem CID   54729894
ChEMBL   CHEMBL468562
ZINC  

Physicochemical Properties

Molecular Weight:  416.26
ALogP:  1.44
MLogP:  3.66
XLogP:  5.844
# Rotatable Bonds:  18
Polar Surface Area:  79.9
# H-Bond Aceptor:  4
# H-Bond Donor:  2
# Rings:  2
# Heavy Atoms:  30

Download Data

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General Info & Identifiers & Properties  
Structure MOL file  
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Biological Activities  
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