Natural Product: NPC148124

Natural Product ID:  NPC148124
Common Name:   Oleracein B
IUPAC Name:   (2S)-5-hydroxy-1-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydroindole-2-carboxylic acid
Synonyms:  
Molecular Formula:   C25H27NO12
Standard InCHIKey:  HTRBZHHBMJDWGG-CGHSGWKJSA-N
Standard InCHI:  InChI=1S/C25H27NO12/c1-36-17-6-11(2-4-15(17)28)3-5-20(30)26-13-9-18(16(29)8-12(13)7-14(26)24(34)35)37-25-23(33)22(32)21(31)19(10-27)38-25/h2-6,8-9,14,19,21-23,25,27-29,31-33H,7,10H2,1H3,(H,34,35)/b5-3+/t14-,19+,21+,22-,23+,25+/m0/s1
Canonical SMILES:  OC[C@H]1O[C@@H](Oc2cc3c(cc2O)C[C@H](N3C(=O)/C=C/c2ccc(c(c2)OC)O)C(=O)O)[C@@H]([C@H]([C@@H]1O)O)O
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
NPO4640 Portulaca oleracea Species Portulacaceae Eukaryota TM-MC*
NPO4640 Portulaca oleracea Species Portulacaceae Eukaryota TCMID*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT2 Others Unspecified EC50 = 35150 nM 26562741

  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 NPC148124 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
0.9949 High Similarity NPC99724
0.9801 High Similarity NPC248903
0.9751 High Similarity NPC26928
0.8 Intermediate Similarity NPC268077
0.7952 Intermediate Similarity NPC207971
0.7926 Intermediate Similarity NPC126556
0.792 Intermediate Similarity NPC291173
0.7919 Intermediate Similarity NPC19175
0.7864 Intermediate Similarity NPC128476
0.7783 Intermediate Similarity NPC46259
0.7762 Intermediate Similarity NPC267414
0.7742 Intermediate Similarity NPC119722
0.7731 Intermediate Similarity NPC269449
0.7714 Intermediate Similarity NPC71124
0.77 Intermediate Similarity NPC473460
0.7682 Intermediate Similarity NPC477393
0.7672 Intermediate Similarity NPC477395
0.7661 Intermediate Similarity NPC470481
0.7661 Intermediate Similarity NPC470482
0.7658 Intermediate Similarity NPC318525
0.7658 Intermediate Similarity NPC10653
0.7658 Intermediate Similarity NPC476069
0.763 Intermediate Similarity NPC50548
0.7617 Intermediate Similarity NPC477396
0.7611 Intermediate Similarity NPC473458
0.7608 Intermediate Similarity NPC254957
0.7602 Intermediate Similarity NPC195636
0.7594 Intermediate Similarity NPC5374
0.7583 Intermediate Similarity NPC144314
0.757 Intermediate Similarity NPC311357
0.7537 Intermediate Similarity NPC287152
0.7536 Intermediate Similarity NPC149962
0.7534 Intermediate Similarity NPC295479
0.7534 Intermediate Similarity NPC220241
0.7523 Intermediate Similarity NPC475133
0.7523 Intermediate Similarity NPC471561
0.7512 Intermediate Similarity NPC123859
0.75 Intermediate Similarity NPC127996
0.75 Intermediate Similarity NPC477186
0.7489 Intermediate Similarity NPC87560
0.7489 Intermediate Similarity NPC182853
0.7489 Intermediate Similarity NPC195120
0.7477 Intermediate Similarity NPC242728
0.7477 Intermediate Similarity NPC127178
0.7467 Intermediate Similarity NPC118189
0.7466 Intermediate Similarity NPC217903
0.7455 Intermediate Similarity NPC288110
0.7453 Intermediate Similarity NPC33256
0.7422 Intermediate Similarity NPC118154
0.7422 Intermediate Similarity NPC157983
0.7421 Intermediate Similarity NPC10732
0.7421 Intermediate Similarity NPC159815
0.7421 Intermediate Similarity NPC116178
0.7419 Intermediate Similarity NPC475147
0.7418 Intermediate Similarity NPC472191
0.7416 Intermediate Similarity NPC230098
0.7389 Intermediate Similarity NPC76478
0.738 Intermediate Similarity NPC471513
0.7376 Intermediate Similarity NPC82541
0.7368 Intermediate Similarity NPC231924
0.7364 Intermediate Similarity NPC477160
0.7343 Intermediate Similarity NPC474745
0.7339 Intermediate Similarity NPC160113
0.7339 Intermediate Similarity NPC476220
0.7336 Intermediate Similarity NPC24228
0.7336 Intermediate Similarity NPC476436
0.7336 Intermediate Similarity NPC161804
0.7333 Intermediate Similarity NPC134702
0.7333 Intermediate Similarity NPC162694
0.733 Intermediate Similarity NPC5167
0.7321 Intermediate Similarity NPC474746
0.7321 Intermediate Similarity NPC475981
0.7316 Intermediate Similarity NPC477397
0.7309 Intermediate Similarity NPC321166
0.7304 Intermediate Similarity NPC470480
0.7302 Intermediate Similarity NPC70290
0.7302 Intermediate Similarity NPC14622
0.7302 Intermediate Similarity NPC215098
0.7302 Intermediate Similarity NPC46744
0.7302 Intermediate Similarity NPC73020
0.7302 Intermediate Similarity NPC124302
0.7301 Intermediate Similarity NPC108826
0.7295 Intermediate Similarity NPC474325
0.7295 Intermediate Similarity NPC329816
0.7289 Intermediate Similarity NPC478047
0.7289 Intermediate Similarity NPC180210
0.7289 Intermediate Similarity NPC328856
0.7289 Intermediate Similarity NPC478046
0.7289 Intermediate Similarity NPC321226
0.7289 Intermediate Similarity NPC314914
0.7277 Intermediate Similarity NPC55470
0.7277 Intermediate Similarity NPC94499
0.7273 Intermediate Similarity NPC198160
0.726 Intermediate Similarity NPC87714
0.726 Intermediate Similarity NPC473422
0.7257 Intermediate Similarity NPC316368
0.7257 Intermediate Similarity NPC77777
0.7257 Intermediate Similarity NPC284236
0.7248 Intermediate Similarity NPC2173
0.7248 Intermediate Similarity NPC119818
0.7248 Intermediate Similarity NPC328700
0.7248 Intermediate Similarity NPC202771
0.7246 Intermediate Similarity NPC237044
0.7246 Intermediate Similarity NPC85613
0.7246 Intermediate Similarity NPC474470
0.7244 Intermediate Similarity NPC234772
0.7244 Intermediate Similarity NPC478048
0.7244 Intermediate Similarity NPC471531
0.724 Intermediate Similarity NPC100573
0.724 Intermediate Similarity NPC207873
0.7238 Intermediate Similarity NPC262725
0.7235 Intermediate Similarity NPC314100
0.7235 Intermediate Similarity NPC226652
0.7235 Intermediate Similarity NPC120671
0.7235 Intermediate Similarity NPC72788
0.7215 Intermediate Similarity NPC304837
0.7215 Intermediate Similarity NPC476258
0.7209 Intermediate Similarity NPC477258
0.7198 Intermediate Similarity NPC304675
0.7193 Intermediate Similarity NPC170101
0.7179 Intermediate Similarity NPC476429
0.7162 Intermediate Similarity NPC329830
0.7162 Intermediate Similarity NPC257728
0.7156 Intermediate Similarity NPC268223
0.7156 Intermediate Similarity NPC114468
0.7155 Intermediate Similarity NPC469722
0.715 Intermediate Similarity NPC2314
0.715 Intermediate Similarity NPC226708
0.7149 Intermediate Similarity NPC80472
0.7149 Intermediate Similarity NPC222046
0.7143 Intermediate Similarity NPC473562
0.7143 Intermediate Similarity NPC122886
0.7137 Intermediate Similarity NPC313327
0.7136 Intermediate Similarity NPC174122
0.7136 Intermediate Similarity NPC141440
0.7136 Intermediate Similarity NPC64140
0.7131 Intermediate Similarity NPC314702
0.713 Intermediate Similarity NPC250960
0.713 Intermediate Similarity NPC71539
0.713 Intermediate Similarity NPC168250
0.7125 Intermediate Similarity NPC188400
0.7124 Intermediate Similarity NPC148391
0.7124 Intermediate Similarity NPC2905
0.7117 Intermediate Similarity NPC16249
0.7117 Intermediate Similarity NPC257266
0.7115 Intermediate Similarity NPC49353
0.7115 Intermediate Similarity NPC187678
0.7114 Intermediate Similarity NPC320064
0.7112 Intermediate Similarity NPC266994
0.7108 Intermediate Similarity NPC35345
0.7101 Intermediate Similarity NPC470739
0.7101 Intermediate Similarity NPC477640
0.7101 Intermediate Similarity NPC225597
0.7095 Intermediate Similarity NPC32154
0.7094 Intermediate Similarity NPC24954
0.7089 Intermediate Similarity NPC154922
0.7089 Intermediate Similarity NPC234069
0.7087 Intermediate Similarity NPC7560
0.7085 Intermediate Similarity NPC270811
0.7085 Intermediate Similarity NPC471073
0.7082 Intermediate Similarity NPC13249
0.7078 Intermediate Similarity NPC475654
0.7075 Intermediate Similarity NPC276120
0.7074 Intermediate Similarity NPC475609
0.7074 Intermediate Similarity NPC219397
0.7073 Intermediate Similarity NPC329717
0.7073 Intermediate Similarity NPC474858
0.7072 Intermediate Similarity NPC246140
0.7072 Intermediate Similarity NPC195787
0.7072 Intermediate Similarity NPC475768
0.707 Intermediate Similarity NPC473004
0.7069 Intermediate Similarity NPC477394
0.7067 Intermediate Similarity NPC471532
0.7066 Intermediate Similarity NPC120239
0.7064 Intermediate Similarity NPC193906
0.7064 Intermediate Similarity NPC23080
0.7064 Intermediate Similarity NPC17677
0.7056 Intermediate Similarity NPC29531
0.7056 Intermediate Similarity NPC237579
0.7056 Intermediate Similarity NPC474059
0.7054 Intermediate Similarity NPC153365
0.7053 Intermediate Similarity NPC311991
0.7053 Intermediate Similarity NPC474475
0.7053 Intermediate Similarity NPC474708
0.7051 Intermediate Similarity NPC74216
0.7051 Intermediate Similarity NPC315914
0.7051 Intermediate Similarity NPC162653
0.7048 Intermediate Similarity NPC15919
0.7048 Intermediate Similarity NPC189661
0.7039 Intermediate Similarity NPC100566
0.7037 Intermediate Similarity NPC471825
0.7028 Intermediate Similarity NPC102760
0.7028 Intermediate Similarity NPC116284
0.7027 Intermediate Similarity NPC163829
0.7027 Intermediate Similarity NPC14339
0.7019 Intermediate Similarity NPC129624
0.7012 Intermediate Similarity NPC113455
0.7009 Intermediate Similarity NPC90185
0.7009 Intermediate Similarity NPC477259
0.7009 Intermediate Similarity NPC169387

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC148124 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
0.7874 Intermediate Similarity NPD5582 Discontinued
0.7653 Intermediate Similarity NPD956 Clinical (unspecified phase)
0.7598 Intermediate Similarity NPD6625 Approved
0.7425 Intermediate Similarity NPD4846 Phase 2
0.7412 Intermediate Similarity NPD7186 Phase 3
0.7395 Intermediate Similarity NPD7255 Clinical (unspecified phase)
0.7378 Intermediate Similarity NPD2899 Discontinued
0.7339 Intermediate Similarity NPD5102 Clinical (unspecified phase)
0.7308 Intermediate Similarity NPD7281 Phase 3
0.7308 Intermediate Similarity NPD7280 Phase 3
0.7302 Intermediate Similarity NPD4420 Approved
0.7273 Intermediate Similarity NPD7263 Phase 2
0.7255 Intermediate Similarity NPD6365 Clinical (unspecified phase)
0.7248 Intermediate Similarity NPD5006 Approved
0.7248 Intermediate Similarity NPD5005 Approved
0.7222 Intermediate Similarity NPD6723 Discontinued
0.722 Intermediate Similarity NPD683 Approved
0.7209 Intermediate Similarity NPD7667 Clinical (unspecified phase)
0.7176 Intermediate Similarity NPD7238 Clinical (unspecified phase)
0.717 Intermediate Similarity NPD6608 Clinical (unspecified phase)
0.7162 Intermediate Similarity NPD7585 Approved
0.7136 Intermediate Similarity NPD2845 Phase 2
0.7136 Intermediate Similarity NPD2843 Phase 2
0.713 Intermediate Similarity NPD6997 Phase 2
0.7124 Intermediate Similarity NPD7559 Phase 2
0.7117 Intermediate Similarity NPD7583 Approved
0.7112 Intermediate Similarity NPD7224 Discontinued
0.7112 Intermediate Similarity NPD7223 Discontinued
0.7109 Intermediate Similarity NPD6853 Approved
0.7109 Intermediate Similarity NPD6851 Approved
0.7103 Intermediate Similarity NPD3808 Clinical (unspecified phase)
0.71 Intermediate Similarity NPD3912 Discontinued
0.7097 Intermediate Similarity NPD6621 Clinical (unspecified phase)
0.7081 Intermediate Similarity NPD6211 Clinical (unspecified phase)
0.7081 Intermediate Similarity NPD6297 Approved
0.7064 Intermediate Similarity NPD5071 Phase 2
0.7043 Intermediate Similarity NPD3437 Discontinued
0.7032 Intermediate Similarity NPD6874 Approved
0.7023 Intermediate Similarity NPD5525 Clinical (unspecified phase)
0.7013 Intermediate Similarity NPD7805 Phase 3
0.7009 Intermediate Similarity NPD4859 Phase 1
0.7 Intermediate Similarity NPD7025 Clinical (unspecified phase)
0.7 Intermediate Similarity NPD7560 Approved
0.6986 Remote Similarity NPD6877 Discontinued
0.6982 Remote Similarity NPD7064 Clinical (unspecified phase)
0.698 Remote Similarity NPD2977 Approved
0.698 Remote Similarity NPD2978 Approved
0.6972 Remote Similarity NPD7880 Clinical (unspecified phase)
0.6967 Remote Similarity NPD7038 Approved
0.6967 Remote Similarity NPD7039 Approved
0.6964 Remote Similarity NPD7584 Approved
0.6952 Remote Similarity NPD5900 Clinical (unspecified phase)
0.6943 Remote Similarity NPD5025 Approved
0.692 Remote Similarity NPD7607 Clinical (unspecified phase)
0.6905 Remote Similarity NPD5521 Clinical (unspecified phase)
0.6898 Remote Similarity NPD6377 Clinical (unspecified phase)
0.6892 Remote Similarity NPD3452 Approved
0.6892 Remote Similarity NPD3450 Approved
0.6892 Remote Similarity NPD2493 Approved
0.6892 Remote Similarity NPD2494 Approved
0.6891 Remote Similarity NPD4885 Approved
0.688 Remote Similarity NPD5619 Clinical (unspecified phase)
0.6878 Remote Similarity NPD6533 Clinical (unspecified phase)
0.6878 Remote Similarity NPD1880 Phase 3
0.6875 Remote Similarity NPD3298 Approved
0.687 Remote Similarity NPD7047 Phase 3
0.686 Remote Similarity NPD6457 Approved
0.6858 Remote Similarity NPD8027 Approved
0.6853 Remote Similarity NPD7956 Approved
0.6853 Remote Similarity NPD7955 Approved
0.6849 Remote Similarity NPD3441 Approved
0.6849 Remote Similarity NPD3442 Approved
0.6846 Remote Similarity NPD7048 Phase 3
0.6825 Remote Similarity NPD5312 Approved
0.6825 Remote Similarity NPD5313 Approved
0.6816 Remote Similarity NPD6238 Discontinued
0.6812 Remote Similarity NPD7827 Phase 1
0.6806 Remote Similarity NPD8103 Clinical (unspecified phase)
0.6803 Remote Similarity NPD6716 Phase 1
0.6802 Remote Similarity NPD7237 Clinical (unspecified phase)
0.6802 Remote Similarity NPD7810 Phase 3
0.6802 Remote Similarity NPD7811 Phase 3
0.68 Remote Similarity NPD4582 Approved
0.68 Remote Similarity NPD4583 Approved
0.6797 Remote Similarity NPD8149 Discontinued
0.678 Remote Similarity NPD7821 Clinical (unspecified phase)
0.6779 Remote Similarity NPD2821 Approved
0.6776 Remote Similarity NPD7132 Clinical (unspecified phase)
0.6771 Remote Similarity NPD5457 Discontinued
0.677 Remote Similarity NPD7174 Clinical (unspecified phase)
0.6758 Remote Similarity NPD7296 Approved
0.6757 Remote Similarity NPD4668 Phase 2
0.6756 Remote Similarity NPD7597 Clinical (unspecified phase)
0.6756 Remote Similarity NPD4002 Approved
0.6756 Remote Similarity NPD4004 Approved
0.6746 Remote Similarity NPD5183 Approved
0.6746 Remote Similarity NPD5186 Approved
0.6746 Remote Similarity NPD8461 Discontinued
0.6745 Remote Similarity NPD3793 Phase 3
0.6743 Remote Similarity NPD7235 Clinical (unspecified phase)
0.6741 Remote Similarity NPD6321 Discontinued
0.674 Remote Similarity NPD6296 Discontinued
0.6728 Remote Similarity NPD3863 Clinical (unspecified phase)
0.6728 Remote Similarity NPD4084 Clinical (unspecified phase)
0.6727 Remote Similarity NPD7125 Discontinued
0.6726 Remote Similarity NPD4465 Phase 2
0.6726 Remote Similarity NPD4467 Phase 2
0.6725 Remote Similarity NPD4997 Clinical (unspecified phase)
0.6719 Remote Similarity NPD7803 Approved
0.6716 Remote Similarity NPD6386 Approved
0.6716 Remote Similarity NPD6385 Approved
0.6714 Remote Similarity NPD5137 Approved
0.6713 Remote Similarity NPD7090 Clinical (unspecified phase)
0.6712 Remote Similarity NPD2488 Approved
0.6712 Remote Similarity NPD2973 Approved
0.6712 Remote Similarity NPD2490 Approved
0.6712 Remote Similarity NPD2974 Approved
0.6712 Remote Similarity NPD2975 Approved
0.6711 Remote Similarity NPD6795 Clinical (unspecified phase)
0.6709 Remote Similarity NPD5496 Approved
0.6706 Remote Similarity NPD8255 Phase 2
0.67 Remote Similarity NPD824 Approved
0.6697 Remote Similarity NPD7906 Approved
0.6697 Remote Similarity NPD4413 Clinical (unspecified phase)
0.6693 Remote Similarity NPD8463 Approved
0.6681 Remote Similarity NPD3591 Approved
0.6681 Remote Similarity NPD3592 Approved
0.6667 Remote Similarity NPD7589 Clinical (unspecified phase)
0.6667 Remote Similarity NPD3964 Approved
0.6667 Remote Similarity NPD5866 Approved
0.6667 Remote Similarity NPD7476 Discontinued
0.6652 Remote Similarity NPD3297 Approved
0.6652 Remote Similarity NPD5562 Approved
0.6652 Remote Similarity NPD5561 Approved
0.6652 Remote Similarity NPD6644 Discontinued
0.6652 Remote Similarity NPD5150 Phase 2
0.6652 Remote Similarity NPD7891 Discontinued
0.6651 Remote Similarity NPD5677 Discontinued
0.665 Remote Similarity NPD6818 Clinical (unspecified phase)
0.665 Remote Similarity NPD1678 Clinical (unspecified phase)
0.665 Remote Similarity NPD5772 Approved
0.665 Remote Similarity NPD5773 Approved
0.6639 Remote Similarity NPD7284 Clinical (unspecified phase)
0.6638 Remote Similarity NPD7571 Clinical (unspecified phase)
0.6637 Remote Similarity NPD4604 Approved
0.6637 Remote Similarity NPD4605 Approved
0.6635 Remote Similarity NPD5242 Approved
0.6627 Remote Similarity NPD4926 Clinical (unspecified phase)
0.6624 Remote Similarity NPD4049 Phase 2
0.6622 Remote Similarity NPD7501 Clinical (unspecified phase)
0.6622 Remote Similarity NPD6493 Phase 3
0.6622 Remote Similarity NPD7256 Discontinued
0.6622 Remote Similarity NPD4580 Approved
0.662 Remote Similarity NPD4498 Clinical (unspecified phase)
0.661 Remote Similarity NPD3783 Clinical (unspecified phase)
0.6608 Remote Similarity NPD6669 Phase 2
0.6605 Remote Similarity NPD6654 Clinical (unspecified phase)
0.6605 Remote Similarity NPD6496 Clinical (unspecified phase)
0.6602 Remote Similarity NPD7862 Clinical (unspecified phase)
0.6599 Remote Similarity NPD6517 Phase 3
0.6598 Remote Similarity NPD4981 Phase 2
0.6597 Remote Similarity NPD7279 Phase 2
0.6597 Remote Similarity NPD7820 Phase 3
0.6597 Remote Similarity NPD7278 Phase 2
0.6591 Remote Similarity NPD5928 Phase 1
0.6588 Remote Similarity NPD5847 Phase 1
0.6587 Remote Similarity NPD7859 Phase 2
0.6585 Remote Similarity NPD1337 Clinical (unspecified phase)
0.6585 Remote Similarity NPD7885 Phase 2
0.6585 Remote Similarity NPD7886 Phase 2
0.6584 Remote Similarity NPD4373 Phase 2
0.6583 Remote Similarity NPD4237 Approved
0.6583 Remote Similarity NPD4236 Phase 3
0.6582 Remote Similarity NPD7907 Approved
0.658 Remote Similarity NPD5860 Discontinued
0.6578 Remote Similarity NPD7565 Approved
0.6575 Remote Similarity NPD3857 Clinical (unspecified phase)
0.6575 Remote Similarity NPD4663 Approved
0.6574 Remote Similarity NPD5192 Clinical (unspecified phase)
0.6574 Remote Similarity NPD8153 Approved
0.6574 Remote Similarity NPD8152 Approved
0.6574 Remote Similarity NPD7149 Clinical (unspecified phase)
0.6571 Remote Similarity NPD2042 Clinical (unspecified phase)
0.6571 Remote Similarity NPD2904 Discontinued
0.6571 Remote Similarity NPD2041 Clinical (unspecified phase)
0.6569 Remote Similarity NPD4210 Discontinued
0.6569 Remote Similarity NPD3686 Approved
0.6569 Remote Similarity NPD3687 Approved
0.6564 Remote Similarity NPD7071 Clinical (unspecified phase)
0.6562 Remote Similarity NPD7708 Approved
0.6562 Remote Similarity NPD5564 Approved
0.6561 Remote Similarity NPD5871 Discontinued
0.656 Remote Similarity NPD6021 Clinical (unspecified phase)
0.6559 Remote Similarity NPD7417 Discontinued
0.6557 Remote Similarity NPD4083 Discontinued
0.6557 Remote Similarity NPD2388 Discontinued
0.6555 Remote Similarity NPD6824 Clinical (unspecified phase)
0.6545 Remote Similarity NPD5620 Clinical (unspecified phase)
0.6544 Remote Similarity NPD6461 Clinical (unspecified phase)
0.6542 Remote Similarity NPD5603 Clinical (unspecified phase)

Structure

External Identifiers

PubChem CID   21574473
ChEMBL   CHEMBL3740446
ZINC  

Physicochemical Properties

Molecular Weight:  533.15
ALogP:  -3.7878
MLogP:  2.78
XLogP:  -0.217
# Rotatable Bonds:  16
Polar Surface Area:  206.68
# H-Bond Aceptor:  9
# H-Bond Donor:  7
# Rings:  4
# Heavy Atoms:  38

Download Data

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General Info & Identifiers & Properties  
Structure MOL file  
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Biological Activities  
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