Natural Product: NPC164894

Natural Product ID:  NPC164894
Common Name:   Myrtucommulone H
IUPAC Name:   4-[(1R)-1-[3-hexanoyl-2,4,6-trihydroxy-5-[(1R)-1-(2-hydroxy-3,3,5,5-tetramethyl-4,6-dioxocyclohexen-1-yl)-2-methylpropyl]phenyl]-3-methylbutyl]-5-hydroxy-2,2,6,6-tetramethylcyclohex-4-ene-1,3-dione
Synonyms:   Myrtucommulone H
Molecular Formula:   C41H58O10
Standard InCHIKey:  BHCDLVJZEUNTHT-FYYLOGMGSA-N
Standard InCHI:  InChI=1S/C41H58O10/c1-14-15-16-17-22(42)26-29(43)24(21(18-19(2)3)25-32(46)38(6,7)36(50)39(8,9)33(25)47)30(44)27(31(26)45)23(20(4)5)28-34(48)40(10,11)37(51)41(12,13)35(28)49/h19-21,23,43-46,48H,14-18H2,1-13H3/t21-,23-/m1/s1
Canonical SMILES:  CCCCCC(=O)c1c(O)c(c(c(c1O)[C@H](C1=C(O)C(C)(C)C(=O)C(C1=O)(C)C)C(C)C)O)[C@H](C1=C(O)C(C)(C)C(=O)C(C1=O)(C)C)CC(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
NPO21908 Corymbia scabrida Species Myrtaceae Eukaryota Seeds PMID[18771320]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT570 Individual Protein Arachidonate 5-lipoxygenase Homo sapiens IC50 = 6600 nM 18345641
NPT2 Others Unspecified IC50 = 31000 nM 14640526
NPT956 Individual Protein Prostaglandin E synthase Homo sapiens IC50 = 300 nM 10.6019/CHEMBL1201861
NPT15 Cell Line Jurkat Homo sapiens EC50 = 21900 nM 20797868
NPT570 Individual Protein Arachidonate 5-lipoxygenase Homo sapiens IC50 = 1300 nM PubChem BioAssay data set

  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 NPC164894 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 NPC475553
0.9756 High Similarity NPC73203
0.9431 High Similarity NPC290466
0.9187 High Similarity NPC66252
0.9127 High Similarity NPC316625
0.9127 High Similarity NPC329205
0.9048 High Similarity NPC328983
0.8931 High Similarity NPC475088
0.8806 High Similarity NPC473622
0.872 High Similarity NPC229649
0.8583 High Similarity NPC232708
0.8507 High Similarity NPC474117
0.8507 High Similarity NPC474224
0.8496 Intermediate Similarity NPC474109
0.8444 Intermediate Similarity NPC475917
0.8385 Intermediate Similarity NPC475733
0.8372 Intermediate Similarity NPC65761
0.8372 Intermediate Similarity NPC472029
0.8372 Intermediate Similarity NPC306288
0.8358 Intermediate Similarity NPC175738
0.8295 Intermediate Similarity NPC91105
0.8295 Intermediate Similarity NPC218333
0.8261 Intermediate Similarity NPC255801
0.8261 Intermediate Similarity NPC87723
0.8261 Intermediate Similarity NPC322301
0.8258 Intermediate Similarity NPC116513
0.8235 Intermediate Similarity NPC470984
0.8227 Intermediate Similarity NPC321629
0.8227 Intermediate Similarity NPC323884
0.8227 Intermediate Similarity NPC321148
0.8227 Intermediate Similarity NPC326193
0.8217 Intermediate Similarity NPC215392
0.8201 Intermediate Similarity NPC477056
0.8201 Intermediate Similarity NPC477055
0.8195 Intermediate Similarity NPC473017
0.8195 Intermediate Similarity NPC221777
0.8188 Intermediate Similarity NPC147691
0.8188 Intermediate Similarity NPC470989
0.8188 Intermediate Similarity NPC470985
0.8188 Intermediate Similarity NPC53001
0.8182 Intermediate Similarity NPC267846
0.8175 Intermediate Similarity NPC474076
0.8175 Intermediate Similarity NPC279291
0.8175 Intermediate Similarity NPC244640
0.8162 Intermediate Similarity NPC470988
0.8156 Intermediate Similarity NPC316911
0.8156 Intermediate Similarity NPC111201
0.8156 Intermediate Similarity NPC316560
0.8148 Intermediate Similarity NPC279566
0.8143 Intermediate Similarity NPC270913
0.814 Intermediate Similarity NPC146642
0.814 Intermediate Similarity NPC149246
0.8134 Intermediate Similarity NPC474998
0.812 Intermediate Similarity NPC72158
0.812 Intermediate Similarity NPC162612
0.812 Intermediate Similarity NPC23126
0.812 Intermediate Similarity NPC190043
0.812 Intermediate Similarity NPC100067
0.812 Intermediate Similarity NPC105157
0.812 Intermediate Similarity NPC30501
0.812 Intermediate Similarity NPC266689
0.812 Intermediate Similarity NPC103356
0.812 Intermediate Similarity NPC169250
0.812 Intermediate Similarity NPC98254
0.8116 Intermediate Similarity NPC191976
0.8116 Intermediate Similarity NPC299734
0.8102 Intermediate Similarity NPC270899
0.8095 Intermediate Similarity NPC475131
0.8095 Intermediate Similarity NPC473509
0.8095 Intermediate Similarity NPC473770
0.8088 Intermediate Similarity NPC185624
0.8085 Intermediate Similarity NPC289660
0.8085 Intermediate Similarity NPC92079
0.8085 Intermediate Similarity NPC164697
0.8085 Intermediate Similarity NPC82920
0.8077 Intermediate Similarity NPC303737
0.8077 Intermediate Similarity NPC226275
0.8074 Intermediate Similarity NPC186628
0.8071 Intermediate Similarity NPC268178
0.8071 Intermediate Similarity NPC180501
0.8071 Intermediate Similarity NPC54820
0.8062 Intermediate Similarity NPC294037
0.806 Intermediate Similarity NPC21305
0.806 Intermediate Similarity NPC470981
0.8056 Intermediate Similarity NPC110882
0.8056 Intermediate Similarity NPC271944
0.8056 Intermediate Similarity NPC85393
0.8045 Intermediate Similarity NPC473691
0.8045 Intermediate Similarity NPC62952
0.8043 Intermediate Similarity NPC249272
0.8043 Intermediate Similarity NPC290803
0.8029 Intermediate Similarity NPC114183
0.8028 Intermediate Similarity NPC476508
0.8015 Intermediate Similarity NPC309765
0.8014 Intermediate Similarity NPC470986
0.7987 Intermediate Similarity NPC470344
0.7972 Intermediate Similarity NPC325346
0.7972 Intermediate Similarity NPC297600
0.7971 Intermediate Similarity NPC16197
0.7971 Intermediate Similarity NPC166480
0.7971 Intermediate Similarity NPC12070
0.7971 Intermediate Similarity NPC282780
0.797 Intermediate Similarity NPC477454
0.7959 Intermediate Similarity NPC48949
0.7941 Intermediate Similarity NPC259942
0.7941 Intermediate Similarity NPC470987
0.7941 Intermediate Similarity NPC21378
0.7929 Intermediate Similarity NPC474110
0.7929 Intermediate Similarity NPC44960
0.7907 Intermediate Similarity NPC40649
0.7907 Intermediate Similarity NPC209486
0.7899 Intermediate Similarity NPC15834
0.7899 Intermediate Similarity NPC285054
0.7899 Intermediate Similarity NPC267205
0.7899 Intermediate Similarity NPC180261
0.7899 Intermediate Similarity NPC37299
0.7899 Intermediate Similarity NPC139074
0.7899 Intermediate Similarity NPC215875
0.7899 Intermediate Similarity NPC40524
0.7899 Intermediate Similarity NPC213485
0.7887 Intermediate Similarity NPC181560
0.7887 Intermediate Similarity NPC169452
0.7883 Intermediate Similarity NPC475042
0.7883 Intermediate Similarity NPC275504
0.7868 Intermediate Similarity NPC92624
0.7868 Intermediate Similarity NPC476119
0.7862 Intermediate Similarity NPC470673
0.7862 Intermediate Similarity NPC470674
0.7862 Intermediate Similarity NPC117716
0.7847 Intermediate Similarity NPC174905
0.7847 Intermediate Similarity NPC293545
0.7832 Intermediate Similarity NPC11056
0.7832 Intermediate Similarity NPC265178
0.7832 Intermediate Similarity NPC477272
0.7832 Intermediate Similarity NPC469818
0.7826 Intermediate Similarity NPC27490
0.7817 Intermediate Similarity NPC242994
0.7817 Intermediate Similarity NPC138099
0.781 Intermediate Similarity NPC17840
0.781 Intermediate Similarity NPC247477
0.7803 Intermediate Similarity NPC242895
0.7803 Intermediate Similarity NPC196976
0.7801 Intermediate Similarity NPC471905
0.7801 Intermediate Similarity NPC470983
0.7801 Intermediate Similarity NPC470982
0.7794 Intermediate Similarity NPC24869
0.7793 Intermediate Similarity NPC11700
0.7786 Intermediate Similarity NPC130899
0.7786 Intermediate Similarity NPC70859
0.7786 Intermediate Similarity NPC61153
0.7786 Intermediate Similarity NPC283590
0.7785 Intermediate Similarity NPC476162
0.7778 Intermediate Similarity NPC81337
0.7778 Intermediate Similarity NPC232021
0.7778 Intermediate Similarity NPC474961
0.7778 Intermediate Similarity NPC157497
0.7778 Intermediate Similarity NPC285659
0.7778 Intermediate Similarity NPC126534
0.7778 Intermediate Similarity NPC193555
0.7778 Intermediate Similarity NPC40118
0.7762 Intermediate Similarity NPC241975
0.7762 Intermediate Similarity NPC240305
0.7762 Intermediate Similarity NPC19476
0.7755 Intermediate Similarity NPC261271
0.7755 Intermediate Similarity NPC475348
0.7754 Intermediate Similarity NPC324482
0.7754 Intermediate Similarity NPC17083
0.7744 Intermediate Similarity NPC32032
0.7744 Intermediate Similarity NPC133909
0.774 Intermediate Similarity NPC476055
0.774 Intermediate Similarity NPC472446
0.774 Intermediate Similarity NPC472447
0.774 Intermediate Similarity NPC206212
0.774 Intermediate Similarity NPC71184
0.774 Intermediate Similarity NPC12402
0.7737 Intermediate Similarity NPC109123
0.7737 Intermediate Similarity NPC117899
0.7733 Intermediate Similarity NPC470353
0.773 Intermediate Similarity NPC475955
0.773 Intermediate Similarity NPC254847
0.773 Intermediate Similarity NPC194764
0.773 Intermediate Similarity NPC474726
0.773 Intermediate Similarity NPC118919
0.773 Intermediate Similarity NPC65005
0.773 Intermediate Similarity NPC264112
0.7724 Intermediate Similarity NPC470636
0.7724 Intermediate Similarity NPC313047
0.7724 Intermediate Similarity NPC295712
0.7724 Intermediate Similarity NPC474203
0.7724 Intermediate Similarity NPC204469
0.7724 Intermediate Similarity NPC96791
0.7724 Intermediate Similarity NPC226942
0.7724 Intermediate Similarity NPC451542
0.7721 Intermediate Similarity NPC83572
0.7712 Intermediate Similarity NPC90497
0.771 Intermediate Similarity NPC161617
0.7704 Intermediate Similarity NPC10926
0.7703 Intermediate Similarity NPC152233
0.7692 Intermediate Similarity NPC254168
0.7692 Intermediate Similarity NPC121259

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC164894 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
0.8647 High Similarity NPD6651 Approved
0.8014 Intermediate Similarity NPD2800 Approved
0.773 Intermediate Similarity NPD1509 Clinical (unspecified phase)
0.7671 Intermediate Similarity NPD7390 Discontinued
0.7516 Intermediate Similarity NPD8443 Clinical (unspecified phase)
0.7444 Intermediate Similarity NPD4196 Clinical (unspecified phase)
0.7383 Intermediate Similarity NPD7410 Clinical (unspecified phase)
0.7383 Intermediate Similarity NPD4378 Clinical (unspecified phase)
0.7324 Intermediate Similarity NPD943 Approved
0.7241 Intermediate Similarity NPD1510 Phase 2
0.7226 Intermediate Similarity NPD7819 Suspended
0.7203 Intermediate Similarity NPD1240 Approved
0.7152 Intermediate Similarity NPD2534 Approved
0.7152 Intermediate Similarity NPD2532 Approved
0.7152 Intermediate Similarity NPD2533 Approved
0.7143 Intermediate Similarity NPD4380 Phase 2
0.7103 Intermediate Similarity NPD1607 Approved
0.7095 Intermediate Similarity NPD970 Clinical (unspecified phase)
0.7089 Intermediate Similarity NPD7075 Discontinued
0.7075 Intermediate Similarity NPD5408 Approved
0.7075 Intermediate Similarity NPD5405 Approved
0.7075 Intermediate Similarity NPD5406 Approved
0.7075 Intermediate Similarity NPD5404 Approved
0.7029 Intermediate Similarity NPD1201 Approved
0.7027 Intermediate Similarity NPD1552 Clinical (unspecified phase)
0.7027 Intermediate Similarity NPD1550 Clinical (unspecified phase)
0.7007 Intermediate Similarity NPD651 Clinical (unspecified phase)
0.7006 Intermediate Similarity NPD2393 Clinical (unspecified phase)
0.6994 Remote Similarity NPD7473 Discontinued
0.6987 Remote Similarity NPD7411 Suspended
0.698 Remote Similarity NPD1549 Phase 2
0.6957 Remote Similarity NPD6959 Discontinued
0.695 Remote Similarity NPD1470 Approved
0.695 Remote Similarity NPD1164 Approved
0.6933 Remote Similarity NPD7852 Clinical (unspecified phase)
0.6918 Remote Similarity NPD7768 Phase 2
0.6899 Remote Similarity NPD7096 Clinical (unspecified phase)
0.6887 Remote Similarity NPD6398 Clinical (unspecified phase)
0.6846 Remote Similarity NPD2796 Approved
0.6846 Remote Similarity NPD6099 Approved
0.6846 Remote Similarity NPD6100 Approved
0.6835 Remote Similarity NPD6801 Discontinued
0.6818 Remote Similarity NPD7422 Clinical (unspecified phase)
0.681 Remote Similarity NPD6232 Discontinued
0.6807 Remote Similarity NPD7804 Clinical (unspecified phase)
0.6776 Remote Similarity NPD3750 Approved
0.6763 Remote Similarity NPD2932 Approved
0.6753 Remote Similarity NPD1511 Approved
0.6733 Remote Similarity NPD2935 Discontinued
0.673 Remote Similarity NPD1934 Approved
0.6715 Remote Similarity NPD405 Clinical (unspecified phase)
0.6709 Remote Similarity NPD6599 Discontinued
0.6692 Remote Similarity NPD4750 Phase 3
0.6688 Remote Similarity NPD3300 Phase 2
0.6687 Remote Similarity NPD2801 Approved
0.6667 Remote Similarity NPD4381 Clinical (unspecified phase)
0.6667 Remote Similarity NPD1512 Approved
0.6667 Remote Similarity NPD2799 Discontinued
0.6646 Remote Similarity NPD8438 Clinical (unspecified phase)
0.6643 Remote Similarity NPD3019 Approved
0.6606 Remote Similarity NPD5711 Approved
0.6606 Remote Similarity NPD5710 Approved
0.6601 Remote Similarity NPD1243 Approved
0.6579 Remote Similarity NPD2344 Approved
0.6564 Remote Similarity NPD3749 Approved
0.6558 Remote Similarity NPD1878 Clinical (unspecified phase)
0.6552 Remote Similarity NPD2798 Approved
0.655 Remote Similarity NPD4419 Clinical (unspecified phase)
0.6541 Remote Similarity NPD7458 Discontinued
0.6538 Remote Similarity NPD846 Approved
0.6538 Remote Similarity NPD940 Approved
0.6538 Remote Similarity NPD6799 Approved
0.6527 Remote Similarity NPD6168 Clinical (unspecified phase)
0.6527 Remote Similarity NPD6166 Phase 2
0.6527 Remote Similarity NPD6167 Clinical (unspecified phase)
0.6509 Remote Similarity NPD6020 Phase 2
0.6503 Remote Similarity NPD3882 Suspended
0.6503 Remote Similarity NPD9269 Phase 2
0.6494 Remote Similarity NPD7421 Clinical (unspecified phase)
0.6493 Remote Similarity NPD74 Approved
0.6493 Remote Similarity NPD9266 Approved
0.6493 Remote Similarity NPD6831 Clinical (unspecified phase)
0.6485 Remote Similarity NPD5494 Approved
0.6475 Remote Similarity NPD9493 Approved
0.6471 Remote Similarity NPD7074 Phase 3
0.6454 Remote Similarity NPD9268 Approved
0.6447 Remote Similarity NPD3748 Approved
0.6447 Remote Similarity NPD3299 Clinical (unspecified phase)
0.6442 Remote Similarity NPD3817 Phase 2
0.6433 Remote Similarity NPD5953 Discontinued
0.6418 Remote Similarity NPD9263 Approved
0.6418 Remote Similarity NPD9264 Approved
0.6418 Remote Similarity NPD9267 Approved
0.6418 Remote Similarity NPD9265 Clinical (unspecified phase)
0.6415 Remote Similarity NPD920 Approved
0.6412 Remote Similarity NPD7286 Phase 2
0.6412 Remote Similarity NPD7054 Approved
0.641 Remote Similarity NPD2309 Approved
0.6406 Remote Similarity NPD1809 Phase 2
0.64 Remote Similarity NPD8150 Discontinued
0.6389 Remote Similarity NPD3972 Approved
0.6387 Remote Similarity NPD2654 Approved
0.6376 Remote Similarity NPD6859 Clinical (unspecified phase)
0.6376 Remote Similarity NPD2313 Discontinued
0.6374 Remote Similarity NPD7472 Approved
0.6358 Remote Similarity NPD7808 Phase 3
0.6358 Remote Similarity NPD230 Phase 1
0.6353 Remote Similarity NPD3818 Discontinued
0.6346 Remote Similarity NPD8166 Discontinued
0.6346 Remote Similarity NPD7003 Approved
0.6335 Remote Similarity NPD3226 Approved
0.6325 Remote Similarity NPD5537 Clinical (unspecified phase)
0.6303 Remote Similarity NPD4868 Clinical (unspecified phase)
0.6301 Remote Similarity NPD8651 Approved
0.6301 Remote Similarity NPD6559 Discontinued
0.6301 Remote Similarity NPD7251 Discontinued
0.6299 Remote Similarity NPD1551 Phase 2
0.6268 Remote Similarity NPD9545 Approved
0.6267 Remote Similarity NPD3764 Approved
0.6267 Remote Similarity NPD3268 Approved
0.6267 Remote Similarity NPD4907 Clinical (unspecified phase)
0.6267 Remote Similarity NPD6410 Clinical (unspecified phase)
0.6266 Remote Similarity NPD643 Clinical (unspecified phase)
0.6258 Remote Similarity NPD2346 Discontinued
0.625 Remote Similarity NPD5124 Phase 1
0.625 Remote Similarity NPD5123 Clinical (unspecified phase)
0.625 Remote Similarity NPD3023 Approved
0.625 Remote Similarity NPD3026 Approved
0.6243 Remote Similarity NPD6797 Phase 2
0.6242 Remote Similarity NPD4628 Phase 3
0.6232 Remote Similarity NPD6124 Clinical (unspecified phase)
0.6224 Remote Similarity NPD3024 Approved
0.6224 Remote Similarity NPD3025 Approved
0.6216 Remote Similarity NPD6917 Clinical (unspecified phase)
0.6214 Remote Similarity NPD5951 Approved
0.6214 Remote Similarity NPD9281 Approved
0.6211 Remote Similarity NPD5403 Approved
0.6188 Remote Similarity NPD4363 Phase 3
0.6188 Remote Similarity NPD4360 Phase 2
0.6188 Remote Similarity NPD642 Clinical (unspecified phase)
0.6182 Remote Similarity NPD1465 Phase 2
0.6181 Remote Similarity NPD3412 Clinical (unspecified phase)
0.6176 Remote Similarity NPD3926 Phase 2
0.6167 Remote Similarity NPD7879 Clinical (unspecified phase)
0.6164 Remote Similarity NPD9717 Approved
0.6154 Remote Similarity NPD4362 Clinical (unspecified phase)
0.6154 Remote Similarity NPD4361 Phase 2
0.6149 Remote Similarity NPD1203 Approved
0.6149 Remote Similarity NPD2797 Approved
0.6145 Remote Similarity NPD8397 Clinical (unspecified phase)
0.6143 Remote Similarity NPD7159 Clinical (unspecified phase)
0.614 Remote Similarity NPD2403 Approved
0.6139 Remote Similarity NPD3400 Discontinued
0.6136 Remote Similarity NPD3020 Approved
0.6133 Remote Similarity NPD6832 Phase 2
0.6133 Remote Similarity NPD4908 Phase 1
0.6127 Remote Similarity NPD5844 Phase 1
0.6124 Remote Similarity NPD845 Approved
0.6124 Remote Similarity NPD8434 Phase 2
0.6122 Remote Similarity NPD1755 Approved
0.6122 Remote Similarity NPD4749 Approved
0.612 Remote Similarity NPD8090 Clinical (unspecified phase)
0.6119 Remote Similarity NPD9261 Approved
0.6118 Remote Similarity NPD6663 Approved
0.6114 Remote Similarity NPD6104 Discontinued
0.6111 Remote Similarity NPD6980 Clinical (unspecified phase)
0.6108 Remote Similarity NPD7501 Clinical (unspecified phase)
0.6105 Remote Similarity NPD3446 Phase 1
0.6087 Remote Similarity NPD5401 Approved
0.608 Remote Similarity NPD4338 Clinical (unspecified phase)
0.6077 Remote Similarity NPD1432 Clinical (unspecified phase)
0.6069 Remote Similarity NPD7163 Clinical (unspecified phase)
0.6067 Remote Similarity NPD4208 Discontinued
0.6067 Remote Similarity NPD5736 Approved
0.6057 Remote Similarity NPD7993 Clinical (unspecified phase)
0.6048 Remote Similarity NPD5402 Approved
0.6036 Remote Similarity NPD919 Approved
0.6023 Remote Similarity NPD5031 Approved
0.6023 Remote Similarity NPD5027 Approved
0.6023 Remote Similarity NPD5029 Approved
0.6014 Remote Similarity NPD7636 Approved
0.6 Remote Similarity NPD1729 Discontinued
0.6 Remote Similarity NPD1930 Approved
0.6 Remote Similarity NPD7699 Phase 2
0.6 Remote Similarity NPD1931 Clinical (unspecified phase)
0.6 Remote Similarity NPD1929 Approved
0.6 Remote Similarity NPD7700 Phase 2
0.5989 Remote Similarity NPD5026 Approved
0.5989 Remote Similarity NPD5034 Approved
0.5989 Remote Similarity NPD4955 Approved
0.5989 Remote Similarity NPD4954 Approved
0.5989 Remote Similarity NPD5028 Approved
0.5989 Remote Similarity NPD36 Approved
0.5988 Remote Similarity NPD7004 Clinical (unspecified phase)
0.5986 Remote Similarity NPD1610 Phase 2
0.5986 Remote Similarity NPD422 Phase 1
0.5973 Remote Similarity NPD1876 Approved
0.597 Remote Similarity NPD1242 Phase 1
0.5965 Remote Similarity NPD1247 Approved
0.5964 Remote Similarity NPD7615 Clinical (unspecified phase)

Structure

External Identifiers

PubChem CID   25058075
ChEMBL   CHEMBL452106
ZINC  

Physicochemical Properties

Molecular Weight:  710.40
ALogP:  1.1812
MLogP:  4.87
XLogP:  7.981
# Rotatable Bonds:  30
Polar Surface Area:  186.5
# H-Bond Aceptor:  10
# H-Bond Donor:  5
# Rings:  3
# Heavy Atoms:  51

Download Data

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General Info & Identifiers & Properties  
Structure MOL file  
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Biological Activities  
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