Natural Product: NPC248903

Natural Product ID:  NPC248903
Common Name:   Oleracein D
IUPAC Name:   (2S)-5-hydroxy-1-[(E)-3-[3-methoxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]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:   C31H37NO17
Standard InCHIKey:  GRIGERORCOQKIJ-PYCQGYPLSA-N
Standard InCHI:  InChI=1S/C31H37NO17/c1-45-19-6-12(2-4-17(19)46-30-27(41)25(39)23(37)20(10-33)48-30)3-5-22(36)32-14-9-18(16(35)8-13(14)7-15(32)29(43)44)47-31-28(42)26(40)24(38)21(11-34)49-31/h2-6,8-9,15,20-21,23-28,30-31,33-35,37-42H,7,10-11H2,1H3,(H,43,44)/b5-3+/t15-,20+,21+,23+,24+,25-,26-,27+,28+,30+,31+/m0/s1
Canonical SMILES:  OC[C@H]1O[C@@H](Oc2ccc(cc2OC)/C=C/C(=O)N2[C@@H](Cc3c2cc(O[C@@H]2O[C@H](CO)[C@H]([C@@H]([C@H]2O)O)O)c(c3)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 = 34550 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 NPC248903 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
0.995 High Similarity NPC26928
0.9801 High Similarity NPC148124
0.9751 High Similarity NPC99724
0.785 Intermediate Similarity NPC268077
0.7804 Intermediate Similarity NPC207971
0.7783 Intermediate Similarity NPC291173
0.7783 Intermediate Similarity NPC126556
0.7783 Intermediate Similarity NPC267414
0.7778 Intermediate Similarity NPC19175
0.7723 Intermediate Similarity NPC128476
0.7723 Intermediate Similarity NPC46259
0.7679 Intermediate Similarity NPC318525
0.7679 Intermediate Similarity NPC10653
0.7653 Intermediate Similarity NPC50548
0.7639 Intermediate Similarity NPC473460
0.7627 Intermediate Similarity NPC477393
0.7617 Intermediate Similarity NPC477395
0.7606 Intermediate Similarity NPC144314
0.7602 Intermediate Similarity NPC119722
0.7593 Intermediate Similarity NPC311357
0.7591 Intermediate Similarity NPC269449
0.757 Intermediate Similarity NPC71124
0.7563 Intermediate Similarity NPC477396
0.7559 Intermediate Similarity NPC149962
0.7555 Intermediate Similarity NPC473458
0.7535 Intermediate Similarity NPC5374
0.7535 Intermediate Similarity NPC123859
0.7524 Intermediate Similarity NPC477186
0.7523 Intermediate Similarity NPC470481
0.7523 Intermediate Similarity NPC470482
0.7522 Intermediate Similarity NPC476069
0.75 Intermediate Similarity NPC242728
0.7467 Intermediate Similarity NPC195636
0.7466 Intermediate Similarity NPC471561
0.7465 Intermediate Similarity NPC254957
0.7444 Intermediate Similarity NPC127996
0.7444 Intermediate Similarity NPC159815
0.7442 Intermediate Similarity NPC472191
0.7435 Intermediate Similarity NPC476436
0.7419 Intermediate Similarity NPC127178
0.7401 Intermediate Similarity NPC288110
0.7401 Intermediate Similarity NPC108826
0.7399 Intermediate Similarity NPC295479
0.7399 Intermediate Similarity NPC220241
0.7399 Intermediate Similarity NPC82541
0.7391 Intermediate Similarity NPC287152
0.7387 Intermediate Similarity NPC475133
0.7362 Intermediate Similarity NPC476220
0.7362 Intermediate Similarity NPC160113
0.7361 Intermediate Similarity NPC24228
0.7358 Intermediate Similarity NPC230098
0.7357 Intermediate Similarity NPC87560
0.7357 Intermediate Similarity NPC195120
0.7357 Intermediate Similarity NPC182853
0.7336 Intermediate Similarity NPC118189
0.7333 Intermediate Similarity NPC217903
0.7328 Intermediate Similarity NPC471513
0.7315 Intermediate Similarity NPC33256
0.7309 Intermediate Similarity NPC477160
0.7293 Intermediate Similarity NPC118154
0.7293 Intermediate Similarity NPC157983
0.7289 Intermediate Similarity NPC10732
0.7289 Intermediate Similarity NPC116178
0.7285 Intermediate Similarity NPC475147
0.7277 Intermediate Similarity NPC476429
0.7265 Intermediate Similarity NPC477397
0.7261 Intermediate Similarity NPC76478
0.7241 Intermediate Similarity NPC231924
0.7238 Intermediate Similarity NPC304837
0.7238 Intermediate Similarity NPC476258
0.7238 Intermediate Similarity NPC329816
0.7237 Intermediate Similarity NPC328856
0.7237 Intermediate Similarity NPC314914
0.7237 Intermediate Similarity NPC478046
0.7237 Intermediate Similarity NPC321226
0.7237 Intermediate Similarity NPC180210
0.7237 Intermediate Similarity NPC478047
0.7235 Intermediate Similarity NPC477258
0.7225 Intermediate Similarity NPC55470
0.7207 Intermediate Similarity NPC473422
0.7205 Intermediate Similarity NPC134702
0.7205 Intermediate Similarity NPC284236
0.7205 Intermediate Similarity NPC316368
0.7204 Intermediate Similarity NPC474745
0.7202 Intermediate Similarity NPC161804
0.7196 Intermediate Similarity NPC162694
0.7193 Intermediate Similarity NPC478048
0.7193 Intermediate Similarity NPC471531
0.719 Intermediate Similarity NPC5167
0.7188 Intermediate Similarity NPC257728
0.7183 Intermediate Similarity NPC475981
0.7183 Intermediate Similarity NPC474746
0.7182 Intermediate Similarity NPC475654
0.7181 Intermediate Similarity NPC321166
0.7179 Intermediate Similarity NPC470480
0.7178 Intermediate Similarity NPC469722
0.7177 Intermediate Similarity NPC2314
0.7169 Intermediate Similarity NPC124302
0.7169 Intermediate Similarity NPC73020
0.7169 Intermediate Similarity NPC14622
0.7169 Intermediate Similarity NPC46744
0.7169 Intermediate Similarity NPC70290
0.7169 Intermediate Similarity NPC215098
0.7156 Intermediate Similarity NPC153365
0.7156 Intermediate Similarity NPC474325
0.7155 Intermediate Similarity NPC71539
0.7155 Intermediate Similarity NPC250960
0.7143 Intermediate Similarity NPC257266
0.7143 Intermediate Similarity NPC320064
0.7143 Intermediate Similarity NPC198160
0.7143 Intermediate Similarity NPC49353
0.7143 Intermediate Similarity NPC94499
0.7143 Intermediate Similarity NPC170101
0.7137 Intermediate Similarity NPC266994
0.713 Intermediate Similarity NPC77777
0.713 Intermediate Similarity NPC87714
0.7123 Intermediate Similarity NPC32154
0.7118 Intermediate Similarity NPC234772
0.7117 Intermediate Similarity NPC202771
0.7117 Intermediate Similarity NPC2173
0.7117 Intermediate Similarity NPC328700
0.7117 Intermediate Similarity NPC119818
0.7113 Intermediate Similarity NPC154922
0.7111 Intermediate Similarity NPC207873
0.7111 Intermediate Similarity NPC100573
0.7109 Intermediate Similarity NPC85613
0.7109 Intermediate Similarity NPC237044
0.7109 Intermediate Similarity NPC474470
0.7104 Intermediate Similarity NPC314100
0.7104 Intermediate Similarity NPC226652
0.7104 Intermediate Similarity NPC120671
0.7104 Intermediate Similarity NPC72788
0.7103 Intermediate Similarity NPC262725
0.71 Intermediate Similarity NPC222046
0.709 Intermediate Similarity NPC120239
0.7089 Intermediate Similarity NPC473562
0.7083 Intermediate Similarity NPC174122
0.7083 Intermediate Similarity NPC314702
0.7083 Intermediate Similarity NPC64140
0.708 Intermediate Similarity NPC168250
0.7078 Intermediate Similarity NPC188400
0.7076 Intermediate Similarity NPC74216
0.7076 Intermediate Similarity NPC315914
0.7062 Intermediate Similarity NPC304675
0.7056 Intermediate Similarity NPC82056
0.7039 Intermediate Similarity NPC329830
0.7037 Intermediate Similarity NPC113455
0.7037 Intermediate Similarity NPC477259
0.7037 Intermediate Similarity NPC234069
0.7037 Intermediate Similarity NPC169387
0.7034 Intermediate Similarity NPC13249
0.7031 Intermediate Similarity NPC114468
0.7031 Intermediate Similarity NPC268223
0.7028 Intermediate Similarity NPC241704
0.7026 Intermediate Similarity NPC475609
0.7023 Intermediate Similarity NPC276120
0.7022 Intermediate Similarity NPC475768
0.7022 Intermediate Similarity NPC80472
0.7021 Intermediate Similarity NPC477394
0.7021 Intermediate Similarity NPC122886
0.7019 Intermediate Similarity NPC474858
0.7019 Intermediate Similarity NPC329717
0.7018 Intermediate Similarity NPC471532
0.7018 Intermediate Similarity NPC473004
0.7018 Intermediate Similarity NPC226708
0.7014 Intermediate Similarity NPC193906
0.7014 Intermediate Similarity NPC23080
0.7014 Intermediate Similarity NPC17677
0.7013 Intermediate Similarity NPC313327
0.7008 Intermediate Similarity NPC313627
0.7005 Intermediate Similarity NPC141440
0.7005 Intermediate Similarity NPC29531
0.7005 Intermediate Similarity NPC237579
0.7 Intermediate Similarity NPC162653
0.7 Intermediate Similarity NPC148391
0.7 Intermediate Similarity NPC2905
0.6991 Remote Similarity NPC11708
0.6991 Remote Similarity NPC16249
0.6991 Remote Similarity NPC478075
0.6986 Remote Similarity NPC471825
0.6981 Remote Similarity NPC187678
0.6977 Remote Similarity NPC116284
0.6971 Remote Similarity NPC35345
0.6967 Remote Similarity NPC470739
0.6967 Remote Similarity NPC477640
0.6967 Remote Similarity NPC225597
0.6966 Remote Similarity NPC7560
0.6957 Remote Similarity NPC24954
0.6953 Remote Similarity NPC219397
0.6952 Remote Similarity NPC477185
0.6951 Remote Similarity NPC138830
0.6951 Remote Similarity NPC67904
0.6948 Remote Similarity NPC32064
0.6947 Remote Similarity NPC195787
0.6947 Remote Similarity NPC246140
0.6946 Remote Similarity NPC471073
0.6946 Remote Similarity NPC270811
0.6944 Remote Similarity NPC129897
0.6944 Remote Similarity NPC116007
0.6944 Remote Similarity NPC291759

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC248903 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
0.7725 Intermediate Similarity NPD5582 Discontinued
0.7543 Intermediate Similarity NPD6625 Approved
0.7512 Intermediate Similarity NPD956 Clinical (unspecified phase)
0.7364 Intermediate Similarity NPD5102 Clinical (unspecified phase)
0.7359 Intermediate Similarity NPD7186 Phase 3
0.7339 Intermediate Similarity NPD7255 Clinical (unspecified phase)
0.73 Intermediate Similarity NPD4846 Phase 2
0.7251 Intermediate Similarity NPD7280 Phase 3
0.7251 Intermediate Similarity NPD7281 Phase 3
0.7249 Intermediate Similarity NPD2899 Discontinued
0.722 Intermediate Similarity NPD7263 Phase 2
0.7198 Intermediate Similarity NPD6365 Clinical (unspecified phase)
0.7196 Intermediate Similarity NPD6608 Clinical (unspecified phase)
0.7188 Intermediate Similarity NPD7585 Approved
0.7173 Intermediate Similarity NPD6723 Discontinued
0.7169 Intermediate Similarity NPD4420 Approved
0.7156 Intermediate Similarity NPD7667 Clinical (unspecified phase)
0.7143 Intermediate Similarity NPD7583 Approved
0.7137 Intermediate Similarity NPD7223 Discontinued
0.7137 Intermediate Similarity NPD7224 Discontinued
0.7123 Intermediate Similarity NPD6621 Clinical (unspecified phase)
0.7123 Intermediate Similarity NPD7238 Clinical (unspecified phase)
0.7117 Intermediate Similarity NPD5005 Approved
0.7117 Intermediate Similarity NPD5006 Approved
0.7093 Intermediate Similarity NPD683 Approved
0.7091 Intermediate Similarity NPD5071 Phase 2
0.7085 Intermediate Similarity NPD7064 Clinical (unspecified phase)
0.7082 Intermediate Similarity NPD6997 Phase 2
0.7074 Intermediate Similarity NPD7559 Phase 2
0.7056 Intermediate Similarity NPD6853 Approved
0.7056 Intermediate Similarity NPD6851 Approved
0.7051 Intermediate Similarity NPD3912 Discontinued
0.7028 Intermediate Similarity NPD6211 Clinical (unspecified phase)
0.7025 Intermediate Similarity NPD7025 Clinical (unspecified phase)
0.7025 Intermediate Similarity NPD7560 Approved
0.7005 Intermediate Similarity NPD2843 Phase 2
0.7005 Intermediate Similarity NPD2845 Phase 2
0.6996 Remote Similarity NPD3437 Discontinued
0.6991 Remote Similarity NPD7584 Approved
0.6982 Remote Similarity NPD6874 Approved
0.6972 Remote Similarity NPD3808 Clinical (unspecified phase)
0.6966 Remote Similarity NPD7805 Phase 3
0.696 Remote Similarity NPD4859 Phase 1
0.696 Remote Similarity NPD8027 Approved
0.6948 Remote Similarity NPD6297 Approved
0.6944 Remote Similarity NPD7955 Approved
0.6944 Remote Similarity NPD7956 Approved
0.6937 Remote Similarity NPD6877 Discontinued
0.6923 Remote Similarity NPD7880 Clinical (unspecified phase)
0.6917 Remote Similarity NPD4885 Approved
0.6907 Remote Similarity NPD5619 Clinical (unspecified phase)
0.6906 Remote Similarity NPD7237 Clinical (unspecified phase)
0.6901 Remote Similarity NPD5900 Clinical (unspecified phase)
0.6897 Remote Similarity NPD7047 Phase 3
0.6895 Remote Similarity NPD5525 Clinical (unspecified phase)
0.6884 Remote Similarity NPD7132 Clinical (unspecified phase)
0.6872 Remote Similarity NPD7607 Clinical (unspecified phase)
0.6872 Remote Similarity NPD7048 Phase 3
0.6854 Remote Similarity NPD5313 Approved
0.6854 Remote Similarity NPD5312 Approved
0.6854 Remote Similarity NPD5521 Clinical (unspecified phase)
0.6849 Remote Similarity NPD6377 Clinical (unspecified phase)
0.6845 Remote Similarity NPD2978 Approved
0.6845 Remote Similarity NPD2977 Approved
0.6844 Remote Similarity NPD2494 Approved
0.6844 Remote Similarity NPD2493 Approved
0.6844 Remote Similarity NPD3450 Approved
0.6844 Remote Similarity NPD3452 Approved
0.6837 Remote Similarity NPD7038 Approved
0.6837 Remote Similarity NPD7039 Approved
0.683 Remote Similarity NPD7811 Phase 3
0.683 Remote Similarity NPD7810 Phase 3
0.6824 Remote Similarity NPD8149 Discontinued
0.6824 Remote Similarity NPD5025 Approved
0.6809 Remote Similarity NPD7803 Approved
0.6807 Remote Similarity NPD7821 Clinical (unspecified phase)
0.6772 Remote Similarity NPD8461 Discontinued
0.6767 Remote Similarity NPD7827 Phase 1
0.6761 Remote Similarity NPD6716 Phase 1
0.6758 Remote Similarity NPD8103 Clinical (unspecified phase)
0.6756 Remote Similarity NPD1880 Phase 3
0.6754 Remote Similarity NPD4582 Approved
0.6754 Remote Similarity NPD3298 Approved
0.6754 Remote Similarity NPD6644 Discontinued
0.6754 Remote Similarity NPD4583 Approved
0.6746 Remote Similarity NPD6533 Clinical (unspecified phase)
0.6736 Remote Similarity NPD3441 Approved
0.6736 Remote Similarity NPD3442 Approved
0.673 Remote Similarity NPD6457 Approved
0.6727 Remote Similarity NPD7906 Approved
0.6726 Remote Similarity NPD5457 Discontinued
0.6725 Remote Similarity NPD7174 Clinical (unspecified phase)
0.6719 Remote Similarity NPD8463 Approved
0.6713 Remote Similarity NPD6654 Clinical (unspecified phase)
0.6712 Remote Similarity NPD7296 Approved
0.6711 Remote Similarity NPD7597 Clinical (unspecified phase)
0.6711 Remote Similarity NPD4002 Approved
0.6711 Remote Similarity NPD4004 Approved
0.6697 Remote Similarity NPD7235 Clinical (unspecified phase)
0.6696 Remote Similarity NPD6238 Discontinued
0.6694 Remote Similarity NPD7589 Clinical (unspecified phase)
0.6683 Remote Similarity NPD6818 Clinical (unspecified phase)
0.6682 Remote Similarity NPD7125 Discontinued
0.6681 Remote Similarity NPD5562 Approved
0.6681 Remote Similarity NPD4997 Clinical (unspecified phase)
0.6681 Remote Similarity NPD5561 Approved
0.668 Remote Similarity NPD7886 Phase 2
0.668 Remote Similarity NPD7885 Phase 2
0.668 Remote Similarity NPD7859 Phase 2
0.6667 Remote Similarity NPD8152 Approved
0.6667 Remote Similarity NPD2490 Approved
0.6667 Remote Similarity NPD6385 Approved
0.6667 Remote Similarity NPD7090 Clinical (unspecified phase)
0.6667 Remote Similarity NPD2975 Approved
0.6667 Remote Similarity NPD2973 Approved
0.6667 Remote Similarity NPD8153 Approved
0.6667 Remote Similarity NPD2974 Approved
0.6667 Remote Similarity NPD2488 Approved
0.6667 Remote Similarity NPD8255 Phase 2
0.6667 Remote Similarity NPD6386 Approved
0.6654 Remote Similarity NPD4926 Clinical (unspecified phase)
0.6654 Remote Similarity NPD7708 Approved
0.6652 Remote Similarity NPD6493 Phase 3
0.6651 Remote Similarity NPD2821 Approved
0.6651 Remote Similarity NPD4498 Clinical (unspecified phase)
0.6639 Remote Similarity NPD7858 Clinical (unspecified phase)
0.6637 Remote Similarity NPD4668 Phase 2
0.6625 Remote Similarity NPD7820 Phase 3
0.6623 Remote Similarity NPD7476 Discontinued
0.6623 Remote Similarity NPD6296 Discontinued
0.6623 Remote Similarity NPD6321 Discontinued
0.662 Remote Similarity NPD5183 Approved
0.662 Remote Similarity NPD5186 Approved
0.662 Remote Similarity NPD3793 Phase 3
0.6611 Remote Similarity NPD7907 Approved
0.6609 Remote Similarity NPD4467 Phase 2
0.6609 Remote Similarity NPD4465 Phase 2
0.6609 Remote Similarity NPD7891 Discontinued
0.6606 Remote Similarity NPD3863 Clinical (unspecified phase)
0.6606 Remote Similarity NPD4084 Clinical (unspecified phase)
0.6603 Remote Similarity NPD5772 Approved
0.6603 Remote Similarity NPD5773 Approved
0.6598 Remote Similarity NPD7284 Clinical (unspecified phase)
0.6597 Remote Similarity NPD5496 Approved
0.6596 Remote Similarity NPD7571 Clinical (unspecified phase)
0.6594 Remote Similarity NPD6795 Clinical (unspecified phase)
0.6591 Remote Similarity NPD8054 Approved
0.6591 Remote Similarity NPD8053 Approved
0.6591 Remote Similarity NPD6021 Clinical (unspecified phase)
0.6589 Remote Similarity NPD5137 Approved
0.6579 Remote Similarity NPD4580 Approved
0.6579 Remote Similarity NPD7501 Clinical (unspecified phase)
0.6578 Remote Similarity NPD7256 Discontinued
0.6578 Remote Similarity NPD4413 Clinical (unspecified phase)
0.6577 Remote Similarity NPD5620 Clinical (unspecified phase)
0.657 Remote Similarity NPD824 Approved
0.6569 Remote Similarity NPD3783 Clinical (unspecified phase)
0.6567 Remote Similarity NPD3591 Approved
0.6567 Remote Similarity NPD3592 Approved
0.6565 Remote Similarity NPD6669 Phase 2
0.6564 Remote Similarity NPD7862 Clinical (unspecified phase)
0.656 Remote Similarity NPD6496 Clinical (unspecified phase)
0.6556 Remote Similarity NPD7279 Phase 2
0.6556 Remote Similarity NPD7278 Phase 2
0.6556 Remote Similarity NPD5566 Clinical (unspecified phase)
0.6553 Remote Similarity NPD7225 Discontinued
0.6553 Remote Similarity NPD5866 Approved
0.6549 Remote Similarity NPD3964 Approved
0.6548 Remote Similarity NPD8359 Phase 2
0.6547 Remote Similarity NPD5928 Phase 1
0.6538 Remote Similarity NPD1337 Clinical (unspecified phase)
0.6538 Remote Similarity NPD3296 Phase 1
0.6538 Remote Similarity NPD5860 Discontinued
0.6535 Remote Similarity NPD3297 Approved
0.6535 Remote Similarity NPD7565 Approved
0.6533 Remote Similarity NPD5150 Phase 2
0.6532 Remote Similarity NPD4663 Approved
0.653 Remote Similarity NPD7149 Clinical (unspecified phase)
0.6528 Remote Similarity NPD7449 Clinical (unspecified phase)
0.6526 Remote Similarity NPD5677 Discontinued
0.6526 Remote Similarity NPD2904 Discontinued
0.6524 Remote Similarity NPD2906 Approved
0.6524 Remote Similarity NPD2907 Approved
0.6522 Remote Similarity NPD7071 Clinical (unspecified phase)
0.6522 Remote Similarity NPD1678 Clinical (unspecified phase)
0.652 Remote Similarity NPD4605 Approved
0.652 Remote Similarity NPD7417 Discontinued
0.652 Remote Similarity NPD4604 Approved
0.6517 Remote Similarity NPD7266 Discontinued
0.6515 Remote Similarity NPD4049 Phase 2
0.6515 Remote Similarity NPD6824 Clinical (unspecified phase)
0.6514 Remote Similarity NPD7479 Phase 2
0.6514 Remote Similarity NPD7472 Approved
0.6512 Remote Similarity NPD5242 Approved
0.6504 Remote Similarity NPD7797 Approved
0.6504 Remote Similarity NPD7796 Approved
0.6502 Remote Similarity NPD7291 Discontinued
0.6495 Remote Similarity NPD6107 Approved
0.6494 Remote Similarity NPD6517 Phase 3
0.649 Remote Similarity NPD4981 Phase 2

Structure

External Identifiers

PubChem CID   21574475
ChEMBL   CHEMBL3739685
ZINC  

Physicochemical Properties

Molecular Weight:  695.21
ALogP:  -5.5347
MLogP:  2.89
XLogP:  -1.325
# Rotatable Bonds:  22
Polar Surface Area:  285.83
# H-Bond Aceptor:  14
# H-Bond Donor:  10
# Rings:  5
# Heavy Atoms:  49

Download Data

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General Info & Identifiers & Properties  
Structure MOL file  
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Biological Activities  
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