Natural Product: NPC475058

Natural Product ID:  NPC475058
Common Name:   Gallomyrtucommulone B
IUPAC Name:   [(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[4-hydroxy-2,2,6,6-tetramethyl-4-(2-methylpropyl)-3,5-dioxocyclohexyl]oxyoxan-2-yl]methyl 3,4,5-trihydroxybenzoate
Synonyms:  
Molecular Formula:   C27H38O13
Standard InCHIKey:  VKHZSJBPCYWANI-XXZDZOCTSA-N
Standard InCHI:  InChI=1S/C27H38O13/c1-11(2)9-27(37)22(35)25(3,4)24(26(5,6)23(27)36)40-21-19(33)18(32)17(31)15(39-21)10-38-20(34)12-7-13(28)16(30)14(29)8-12/h7-8,11,15,17-19,21,24,28-33,37H,9-10H2,1-6H3/t15-,17-,18+,19-,21+,24?,27?/m1/s1
Canonical SMILES:  CC(CC1(O)C(=O)C(C)(C)C(C(C1=O)(C)C)O[C@@H]1O[C@H](COC(=O)c2cc(O)c(c(c2)O)O)[C@H]([C@@H]([C@H]1O)O)O)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
NPO4570 Myrtus communis Species Myrtaceae Eukaryota PMID[16499325]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT16 Organism Staphylococcus aureus Staphylococcus aureus MIC = 128 ug/ml 15730262
NPT16 Organism Staphylococcus aureus Staphylococcus aureus MIC = 128 ug/ml 23327668
NPT16 Organism Staphylococcus aureus Staphylococcus aureus MIC = 128 ug/ml 17236778
NPT16 Organism Staphylococcus aureus Staphylococcus aureus MIC = 64 ug/ml 21429632

  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 NPC475058 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
0.9937 High Similarity NPC476017
0.9006 High Similarity NPC102367
0.9 High Similarity NPC469418
0.8889 High Similarity NPC172920
0.8889 High Similarity NPC156624
0.878 High Similarity NPC4747
0.878 High Similarity NPC104275
0.878 High Similarity NPC49173
0.8779 High Similarity NPC80360
0.8779 High Similarity NPC260300
0.8772 High Similarity NPC469354
0.8758 High Similarity NPC140151
0.875 High Similarity NPC92117
0.8728 High Similarity NPC195114
0.869 High Similarity NPC475738
0.8688 High Similarity NPC120621
0.8688 High Similarity NPC248257
0.8623 High Similarity NPC477627
0.8616 High Similarity NPC108455
0.8613 High Similarity NPC233994
0.8613 High Similarity NPC211532
0.8588 High Similarity NPC116745
0.858 High Similarity NPC306343
0.8571 High Similarity NPC43123
0.8555 High Similarity NPC477848
0.8554 High Similarity NPC472860
0.8553 High Similarity NPC229036
0.8553 High Similarity NPC114242
0.8553 High Similarity NPC50221
0.8547 High Similarity NPC476772
0.8547 High Similarity NPC190003
0.8547 High Similarity NPC175107
0.8538 High Similarity NPC328321
0.8538 High Similarity NPC138927
0.8537 High Similarity NPC44260
0.8537 High Similarity NPC61152
0.8537 High Similarity NPC16024
0.8537 High Similarity NPC205037
0.8537 High Similarity NPC3746
0.8529 High Similarity NPC469419
0.8519 High Similarity NPC75945
0.8519 High Similarity NPC42464
0.8506 High Similarity NPC472384
0.8506 High Similarity NPC198324
0.8506 High Similarity NPC472382
0.8506 High Similarity NPC472380
0.8506 High Similarity NPC472385
0.8506 High Similarity NPC268533
0.8497 Intermediate Similarity NPC4390
0.8488 Intermediate Similarity NPC224462
0.8488 Intermediate Similarity NPC212748
0.8488 Intermediate Similarity NPC244776
0.8488 Intermediate Similarity NPC155763
0.8488 Intermediate Similarity NPC116864
0.8488 Intermediate Similarity NPC235260
0.8488 Intermediate Similarity NPC20505
0.8476 Intermediate Similarity NPC227485
0.8476 Intermediate Similarity NPC221249
0.8471 Intermediate Similarity NPC165720
0.8471 Intermediate Similarity NPC88243
0.8466 Intermediate Similarity NPC170203
0.8462 Intermediate Similarity NPC41009
0.8462 Intermediate Similarity NPC291957
0.8462 Intermediate Similarity NPC300537
0.8462 Intermediate Similarity NPC14030
0.8462 Intermediate Similarity NPC127782
0.8457 Intermediate Similarity NPC293626
0.8457 Intermediate Similarity NPC258044
0.8457 Intermediate Similarity NPC35167
0.8457 Intermediate Similarity NPC217387
0.8457 Intermediate Similarity NPC168584
0.8457 Intermediate Similarity NPC196127
0.8457 Intermediate Similarity NPC267680
0.8452 Intermediate Similarity NPC166277
0.8452 Intermediate Similarity NPC119125
0.8452 Intermediate Similarity NPC203020
0.8452 Intermediate Similarity NPC239966
0.8448 Intermediate Similarity NPC108202
0.8448 Intermediate Similarity NPC135277
0.8448 Intermediate Similarity NPC264735
0.8448 Intermediate Similarity NPC171706
0.8448 Intermediate Similarity NPC237435
0.8448 Intermediate Similarity NPC101191
0.8448 Intermediate Similarity NPC115760
0.8448 Intermediate Similarity NPC210094
0.8448 Intermediate Similarity NPC469438
0.8448 Intermediate Similarity NPC49344
0.8448 Intermediate Similarity NPC43211
0.8443 Intermediate Similarity NPC474010
0.8443 Intermediate Similarity NPC1913
0.8443 Intermediate Similarity NPC135222
0.8439 Intermediate Similarity NPC153755
0.8439 Intermediate Similarity NPC476405
0.8439 Intermediate Similarity NPC205076
0.8439 Intermediate Similarity NPC472386
0.8439 Intermediate Similarity NPC172807
0.8439 Intermediate Similarity NPC211594
0.8439 Intermediate Similarity NPC307518
0.8439 Intermediate Similarity NPC254540
0.8439 Intermediate Similarity NPC48773
0.8439 Intermediate Similarity NPC117260
0.8438 Intermediate Similarity NPC121573
0.8438 Intermediate Similarity NPC22176
0.8438 Intermediate Similarity NPC190587
0.8438 Intermediate Similarity NPC226738
0.843 Intermediate Similarity NPC229687
0.843 Intermediate Similarity NPC52382
0.843 Intermediate Similarity NPC183036
0.843 Intermediate Similarity NPC476771
0.843 Intermediate Similarity NPC270578
0.8421 Intermediate Similarity NPC13481
0.8421 Intermediate Similarity NPC207575
0.8421 Intermediate Similarity NPC277174
0.8421 Intermediate Similarity NPC73855
0.8421 Intermediate Similarity NPC328940
0.8421 Intermediate Similarity NPC113968
0.8421 Intermediate Similarity NPC135599
0.8418 Intermediate Similarity NPC313452
0.8418 Intermediate Similarity NPC470447
0.8418 Intermediate Similarity NPC470446
0.8418 Intermediate Similarity NPC470445
0.8418 Intermediate Similarity NPC36138
0.8418 Intermediate Similarity NPC470449
0.8412 Intermediate Similarity NPC94777
0.8412 Intermediate Similarity NPC470898
0.8412 Intermediate Similarity NPC88043
0.8402 Intermediate Similarity NPC311803
0.8402 Intermediate Similarity NPC25389
0.8402 Intermediate Similarity NPC266365
0.8402 Intermediate Similarity NPC472859
0.84 Intermediate Similarity NPC144097
0.84 Intermediate Similarity NPC475054
0.84 Intermediate Similarity NPC257714
0.84 Intermediate Similarity NPC61904
0.84 Intermediate Similarity NPC89127
0.84 Intermediate Similarity NPC471669
0.8393 Intermediate Similarity NPC287872
0.8393 Intermediate Similarity NPC160780
0.8393 Intermediate Similarity NPC74319
0.8393 Intermediate Similarity NPC289811
0.8391 Intermediate Similarity NPC21666
0.8391 Intermediate Similarity NPC42773
0.8391 Intermediate Similarity NPC24043
0.8391 Intermediate Similarity NPC101026
0.8391 Intermediate Similarity NPC45522
0.8391 Intermediate Similarity NPC175230
0.8391 Intermediate Similarity NPC172033
0.8391 Intermediate Similarity NPC88560
0.8391 Intermediate Similarity NPC169977
0.8382 Intermediate Similarity NPC21190
0.8382 Intermediate Similarity NPC72249
0.8382 Intermediate Similarity NPC22195
0.8382 Intermediate Similarity NPC206123
0.8382 Intermediate Similarity NPC84265
0.8382 Intermediate Similarity NPC282987
0.8382 Intermediate Similarity NPC245014
0.8382 Intermediate Similarity NPC105511
0.8382 Intermediate Similarity NPC44558
0.8382 Intermediate Similarity NPC183357
0.8382 Intermediate Similarity NPC470272
0.8382 Intermediate Similarity NPC474434
0.8382 Intermediate Similarity NPC34287
0.8382 Intermediate Similarity NPC149011
0.8382 Intermediate Similarity NPC471416
0.8382 Intermediate Similarity NPC204937
0.838 Intermediate Similarity NPC475360
0.8373 Intermediate Similarity NPC281703
0.8373 Intermediate Similarity NPC125487
0.8372 Intermediate Similarity NPC229729
0.8372 Intermediate Similarity NPC265530
0.8372 Intermediate Similarity NPC52550
0.8372 Intermediate Similarity NPC107009
0.8372 Intermediate Similarity NPC48640
0.8372 Intermediate Similarity NPC226304
0.8372 Intermediate Similarity NPC92565
0.8372 Intermediate Similarity NPC325555
0.8372 Intermediate Similarity NPC317489
0.8372 Intermediate Similarity NPC160156
0.8372 Intermediate Similarity NPC45400
0.8372 Intermediate Similarity NPC223424
0.8372 Intermediate Similarity NPC149244
0.8372 Intermediate Similarity NPC84362
0.8372 Intermediate Similarity NPC173637
0.8372 Intermediate Similarity NPC477502
0.8372 Intermediate Similarity NPC127546
0.8371 Intermediate Similarity NPC470455
0.8371 Intermediate Similarity NPC470416
0.8371 Intermediate Similarity NPC470451
0.8371 Intermediate Similarity NPC148710
0.8363 Intermediate Similarity NPC471788
0.8363 Intermediate Similarity NPC277205
0.8363 Intermediate Similarity NPC55786
0.8363 Intermediate Similarity NPC240431
0.8363 Intermediate Similarity NPC19388
0.8363 Intermediate Similarity NPC180586
0.8362 Intermediate Similarity NPC188217
0.8362 Intermediate Similarity NPC315221
0.8354 Intermediate Similarity NPC12006
0.8353 Intermediate Similarity NPC473043
0.8353 Intermediate Similarity NPC148273

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC475058 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
0.8448 Intermediate Similarity NPD4338 Clinical (unspecified phase)
0.8286 Intermediate Similarity NPD7251 Discontinued
0.8276 Intermediate Similarity NPD7074 Phase 3
0.8266 Intermediate Similarity NPD3818 Discontinued
0.8229 Intermediate Similarity NPD6797 Phase 2
0.8218 Intermediate Similarity NPD7054 Approved
0.8171 Intermediate Similarity NPD7472 Approved
0.8136 Intermediate Similarity NPD7808 Phase 3
0.8059 Intermediate Similarity NPD4868 Clinical (unspecified phase)
0.8037 Intermediate Similarity NPD6190 Approved
0.8012 Intermediate Similarity NPD7075 Discontinued
0.8012 Intermediate Similarity NPD4381 Clinical (unspecified phase)
0.8011 Intermediate Similarity NPD7804 Clinical (unspecified phase)
0.8 Intermediate Similarity NPD8055 Clinical (unspecified phase)
0.7978 Intermediate Similarity NPD7879 Clinical (unspecified phase)
0.7943 Intermediate Similarity NPD6168 Clinical (unspecified phase)
0.7943 Intermediate Similarity NPD6167 Clinical (unspecified phase)
0.7943 Intermediate Similarity NPD6166 Phase 2
0.7941 Intermediate Similarity NPD2393 Clinical (unspecified phase)
0.7925 Intermediate Similarity NPD230 Phase 1
0.7921 Intermediate Similarity NPD7993 Clinical (unspecified phase)
0.7882 Intermediate Similarity NPD1934 Approved
0.7853 Intermediate Similarity NPD7228 Approved
0.7836 Intermediate Similarity NPD7096 Clinical (unspecified phase)
0.7791 Intermediate Similarity NPD3817 Phase 2
0.7791 Intermediate Similarity NPD7266 Discontinued
0.7778 Intermediate Similarity NPD6559 Discontinued
0.7778 Intermediate Similarity NPD7685 Pre-registration
0.7765 Intermediate Similarity NPD4380 Phase 2
0.7759 Intermediate Similarity NPD6234 Discontinued
0.7746 Intermediate Similarity NPD3882 Suspended
0.7733 Intermediate Similarity NPD2801 Approved
0.7697 Intermediate Similarity NPD7473 Discontinued
0.7674 Intermediate Similarity NPD6801 Discontinued
0.7674 Intermediate Similarity NPD37 Approved
0.7663 Intermediate Similarity NPD8150 Discontinued
0.7663 Intermediate Similarity NPD8434 Phase 2
0.7644 Intermediate Similarity NPD4965 Approved
0.7644 Intermediate Similarity NPD4966 Approved
0.7644 Intermediate Similarity NPD4967 Phase 2
0.7588 Intermediate Similarity NPD6980 Clinical (unspecified phase)
0.7586 Intermediate Similarity NPD5402 Approved
0.7565 Intermediate Similarity NPD7435 Discontinued
0.7544 Intermediate Similarity NPD1653 Approved
0.7529 Intermediate Similarity NPD7819 Suspended
0.7529 Intermediate Similarity NPD1512 Approved
0.7528 Intermediate Similarity NPD6232 Discontinued
0.7526 Intermediate Similarity NPD8320 Phase 1
0.7526 Intermediate Similarity NPD8319 Approved
0.7514 Intermediate Similarity NPD5494 Approved
0.7514 Intermediate Similarity NPD7411 Suspended
0.7514 Intermediate Similarity NPD5844 Phase 1
0.7513 Intermediate Similarity NPD6535 Approved
0.7513 Intermediate Similarity NPD6534 Approved
0.7487 Intermediate Similarity NPD7699 Phase 2
0.7487 Intermediate Similarity NPD8397 Clinical (unspecified phase)
0.7487 Intermediate Similarity NPD7700 Phase 2
0.7486 Intermediate Similarity NPD8443 Clinical (unspecified phase)
0.7457 Intermediate Similarity NPD6599 Discontinued
0.7429 Intermediate Similarity NPD1465 Phase 2
0.7423 Intermediate Similarity NPD943 Approved
0.7412 Intermediate Similarity NPD6799 Approved
0.7412 Intermediate Similarity NPD1511 Approved
0.7409 Intermediate Similarity NPD6780 Approved
0.7409 Intermediate Similarity NPD6778 Approved
0.7409 Intermediate Similarity NPD6776 Approved
0.7409 Intermediate Similarity NPD6782 Approved
0.7409 Intermediate Similarity NPD6781 Approved
0.7409 Intermediate Similarity NPD6777 Approved
0.7409 Intermediate Similarity NPD6779 Approved
0.7405 Intermediate Similarity NPD8312 Approved
0.7405 Intermediate Similarity NPD8313 Approved
0.7391 Intermediate Similarity NPD8368 Discontinued
0.7391 Intermediate Similarity NPD7240 Approved
0.7374 Intermediate Similarity NPD8151 Discontinued
0.7368 Intermediate Similarity NPD4378 Clinical (unspecified phase)
0.7363 Intermediate Similarity NPD3751 Discontinued
0.7337 Intermediate Similarity NPD7875 Clinical (unspecified phase)
0.7337 Intermediate Similarity NPD7874 Approved
0.7296 Intermediate Similarity NPD7696 Phase 3
0.7296 Intermediate Similarity NPD7697 Approved
0.7296 Intermediate Similarity NPD7698 Approved
0.7293 Intermediate Similarity NPD7184 Clinical (unspecified phase)
0.7283 Intermediate Similarity NPD5403 Approved
0.7278 Intermediate Similarity NPD7199 Phase 2
0.7273 Intermediate Similarity NPD8407 Phase 2
0.7268 Intermediate Similarity NPD7799 Discontinued
0.7259 Intermediate Similarity NPD7870 Phase 2
0.7259 Intermediate Similarity NPD7871 Phase 2
0.7253 Intermediate Similarity NPD7852 Clinical (unspecified phase)
0.7246 Intermediate Similarity NPD651 Clinical (unspecified phase)
0.7238 Intermediate Similarity NPD3787 Discontinued
0.7236 Intermediate Similarity NPD7701 Phase 2
0.7235 Intermediate Similarity NPD6398 Clinical (unspecified phase)
0.7235 Intermediate Similarity NPD4628 Phase 3
0.7235 Intermediate Similarity NPD8166 Discontinued
0.7235 Intermediate Similarity NPD1878 Clinical (unspecified phase)
0.7233 Intermediate Similarity NPD9269 Phase 2
0.7228 Intermediate Similarity NPD8470 Clinical (unspecified phase)
0.7219 Intermediate Similarity NPD970 Clinical (unspecified phase)
0.7219 Intermediate Similarity NPD1549 Phase 2
0.7214 Intermediate Similarity NPD7801 Approved
0.7209 Intermediate Similarity NPD6143 Clinical (unspecified phase)
0.72 Intermediate Similarity NPD7458 Discontinued
0.7182 Intermediate Similarity NPD1247 Approved
0.7168 Intermediate Similarity NPD2533 Approved
0.7168 Intermediate Similarity NPD2532 Approved
0.7168 Intermediate Similarity NPD2534 Approved
0.7168 Intermediate Similarity NPD5401 Approved
0.716 Intermediate Similarity NPD1550 Clinical (unspecified phase)
0.716 Intermediate Similarity NPD1552 Clinical (unspecified phase)
0.7143 Intermediate Similarity NPD1510 Phase 2
0.7126 Intermediate Similarity NPD6651 Approved
0.712 Intermediate Similarity NPD8360 Approved
0.712 Intermediate Similarity NPD8361 Approved
0.7108 Intermediate Similarity NPD7966 Clinical (unspecified phase)
0.7101 Intermediate Similarity NPD2935 Discontinued
0.7095 Intermediate Similarity NPD5353 Approved
0.7092 Intermediate Similarity NPD7237 Clinical (unspecified phase)
0.7088 Intermediate Similarity NPD6959 Discontinued
0.7076 Intermediate Similarity NPD7421 Clinical (unspecified phase)
0.7072 Intermediate Similarity NPD919 Approved
0.7071 Intermediate Similarity NPD6823 Phase 2
0.7069 Intermediate Similarity NPD7410 Clinical (unspecified phase)
0.7044 Intermediate Similarity NPD7783 Phase 2
0.7044 Intermediate Similarity NPD7782 Clinical (unspecified phase)
0.7031 Intermediate Similarity NPD8435 Approved
0.7015 Intermediate Similarity NPD7584 Approved
0.7011 Intermediate Similarity NPD3926 Phase 2
0.701 Intermediate Similarity NPD6214 Clinical (unspecified phase)
0.701 Intermediate Similarity NPD6213 Phase 3
0.701 Intermediate Similarity NPD6212 Phase 3
0.7006 Intermediate Similarity NPD1240 Approved
0.7 Intermediate Similarity NPD2796 Approved
0.7 Intermediate Similarity NPD6099 Approved
0.7 Intermediate Similarity NPD6100 Approved
0.6986 Remote Similarity NPD8155 Clinical (unspecified phase)
0.6981 Remote Similarity NPD9268 Approved
0.6978 Remote Similarity NPD5537 Clinical (unspecified phase)
0.6977 Remote Similarity NPD2800 Approved
0.6965 Remote Similarity NPD7211 Clinical (unspecified phase)
0.6961 Remote Similarity NPD7768 Phase 2
0.695 Remote Similarity NPD7680 Approved
0.6944 Remote Similarity NPD8455 Phase 2
0.6941 Remote Similarity NPD1509 Clinical (unspecified phase)
0.6928 Remote Similarity NPD3027 Phase 3
0.6923 Remote Similarity NPD3749 Approved
0.6923 Remote Similarity NPD1607 Approved
0.6919 Remote Similarity NPD5619 Clinical (unspecified phase)
0.6911 Remote Similarity NPD7090 Clinical (unspecified phase)
0.691 Remote Similarity NPD3226 Approved
0.6905 Remote Similarity NPD1612 Clinical (unspecified phase)
0.6905 Remote Similarity NPD1613 Approved
0.6904 Remote Similarity NPD8090 Clinical (unspecified phase)
0.6902 Remote Similarity NPD8127 Discontinued
0.6897 Remote Similarity NPD7585 Approved
0.6884 Remote Similarity NPD7501 Clinical (unspecified phase)
0.6884 Remote Similarity NPD8486 Clinical (unspecified phase)
0.6875 Remote Similarity NPD7422 Clinical (unspecified phase)
0.6857 Remote Similarity NPD7236 Approved
0.6847 Remote Similarity NPD7583 Approved
0.6839 Remote Similarity NPD3750 Approved
0.6818 Remote Similarity NPD7390 Discontinued
0.6813 Remote Similarity NPD9545 Approved
0.6794 Remote Similarity NPD8404 Phase 2
0.6789 Remote Similarity NPD5953 Discontinued
0.6786 Remote Similarity NPD3764 Approved
0.6786 Remote Similarity NPD6859 Clinical (unspecified phase)
0.678 Remote Similarity NPD7004 Clinical (unspecified phase)
0.6779 Remote Similarity NPD7930 Approved
0.6774 Remote Similarity NPD5710 Approved
0.6774 Remote Similarity NPD5711 Approved
0.6772 Remote Similarity NPD7286 Phase 2
0.6765 Remote Similarity NPD1933 Approved
0.6765 Remote Similarity NPD447 Suspended
0.676 Remote Similarity NPD7239 Suspended
0.6753 Remote Similarity NPD8424 Clinical (unspecified phase)
0.6738 Remote Similarity NPD5242 Approved
0.6734 Remote Similarity NPD8485 Approved
0.6722 Remote Similarity NPD3455 Phase 2
0.6707 Remote Similarity NPD1530 Clinical (unspecified phase)
0.6707 Remote Similarity NPD9494 Approved
0.6705 Remote Similarity NPD1551 Phase 2
0.6704 Remote Similarity NPD920 Approved
0.6686 Remote Similarity NPD6674 Discontinued
0.6686 Remote Similarity NPD7097 Phase 1
0.6685 Remote Similarity NPD8389 Clinical (unspecified phase)
0.6667 Remote Similarity NPD7907 Approved
0.6667 Remote Similarity NPD5761 Phase 2
0.6667 Remote Similarity NPD1529 Clinical (unspecified phase)
0.6667 Remote Similarity NPD5760 Phase 2
0.6651 Remote Similarity NPD4665 Approved
0.6651 Remote Similarity NPD4111 Phase 1
0.6648 Remote Similarity NPD6386 Approved
0.6648 Remote Similarity NPD6385 Approved
0.6648 Remote Similarity NPD7615 Clinical (unspecified phase)
0.6647 Remote Similarity NPD2799 Discontinued
0.6614 Remote Similarity NPD2403 Approved
0.6593 Remote Similarity NPD7028 Phase 2
0.6592 Remote Similarity NPD642 Clinical (unspecified phase)

Structure

External Identifiers

PubChem CID   11664177
ChEMBL   CHEMBL494859
ZINC  

Physicochemical Properties

Molecular Weight:  570.23
ALogP:  -2.0784
MLogP:  3
XLogP:  0.518
# Rotatable Bonds:  21
Polar Surface Area:  220.51
# H-Bond Aceptor:  10
# H-Bond Donor:  7
# Rings:  3
# Heavy Atoms:  40

Download Data

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