Natural Product: NPC476694

Natural Product ID:  NPC476694
Common Name:   Batzellaside A
IUPAC Name:   (2R,3S,4S,6S)-6-(2-hydroxydodecyl)-2-(hydroxymethyl)piperidine-3,4-diol
Synonyms:  
Molecular Formula:   C18H37NO4
Standard InCHIKey:  MTISSSLHXUBMPA-HTZWAHEESA-N
Standard InCHI:  InChI=1S/C18H37NO4/c1-2-3-4-5-6-7-8-9-10-15(21)11-14-12-17(22)18(23)16(13-20)19-14/h14-23H,2-13H2,1H3/t14-,15?,16+,17-,18-/m0/s1
Canonical SMILES:  CCCCCCCCCCC(C[C@H]1C[C@H](O)[C@H]([C@H](N1)CO)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
NPO33532 Batzella sp. Species NA NA west coast of Madagascar PMID[15679333]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT17 Organism Staphylococcus epidermidis Staphylococcus epidermidis MIC <= 6.3 ug/ml 15679333

  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 NPC476694 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 NPC476696
1.0 High Similarity NPC476695
0.9692 High Similarity NPC268922
0.9538 High Similarity NPC471418
0.9231 High Similarity NPC286851
0.9231 High Similarity NPC303798
0.9077 High Similarity NPC142290
0.9077 High Similarity NPC471780
0.9077 High Similarity NPC471892
0.9077 High Similarity NPC223386
0.9077 High Similarity NPC75435
0.9077 High Similarity NPC198341
0.8769 High Similarity NPC69669
0.8769 High Similarity NPC150680
0.8769 High Similarity NPC218150
0.8769 High Similarity NPC22774
0.8769 High Similarity NPC306462
0.8769 High Similarity NPC2432
0.8636 High Similarity NPC163134
0.8636 High Similarity NPC471419
0.8451 Intermediate Similarity NPC474468
0.8429 Intermediate Similarity NPC475694
0.8429 Intermediate Similarity NPC473710
0.8382 Intermediate Similarity NPC315980
0.831 Intermediate Similarity NPC299603
0.831 Intermediate Similarity NPC137554
0.831 Intermediate Similarity NPC255535
0.831 Intermediate Similarity NPC28959
0.831 Intermediate Similarity NPC285014
0.8308 Intermediate Similarity NPC290106
0.8308 Intermediate Similarity NPC143809
0.8308 Intermediate Similarity NPC76726
0.8308 Intermediate Similarity NPC193593
0.8154 Intermediate Similarity NPC204709
0.803 Intermediate Similarity NPC471421
0.803 Intermediate Similarity NPC233364
0.803 Intermediate Similarity NPC170172
0.8 Intermediate Similarity NPC8979
0.7887 Intermediate Similarity NPC126664
0.7887 Intermediate Similarity NPC34291
0.7857 Intermediate Similarity NPC69798
0.7857 Intermediate Similarity NPC77191
0.7857 Intermediate Similarity NPC473952
0.7857 Intermediate Similarity NPC101746
0.7857 Intermediate Similarity NPC116377
0.7808 Intermediate Similarity NPC306973
0.7722 Intermediate Similarity NPC36927
0.7722 Intermediate Similarity NPC271772
0.7714 Intermediate Similarity NPC474928
0.7564 Intermediate Similarity NPC98750
0.7468 Intermediate Similarity NPC70574
0.7465 Intermediate Similarity NPC233034
0.7403 Intermediate Similarity NPC477002
0.7385 Intermediate Similarity NPC123814
0.7375 Intermediate Similarity NPC471420
0.7286 Intermediate Similarity NPC57846
0.7286 Intermediate Similarity NPC474014
0.7286 Intermediate Similarity NPC8087
0.7286 Intermediate Similarity NPC30126
0.7286 Intermediate Similarity NPC62507
0.7262 Intermediate Similarity NPC306838
0.72 Intermediate Similarity NPC163538
0.72 Intermediate Similarity NPC115800
0.7195 Intermediate Similarity NPC165119
0.7183 Intermediate Similarity NPC17455
0.7125 Intermediate Similarity NPC150557
0.7121 Intermediate Similarity NPC474322
0.7067 Intermediate Similarity NPC473419
0.7067 Intermediate Similarity NPC475715
0.7067 Intermediate Similarity NPC475127
0.7037 Intermediate Similarity NPC100204
0.7037 Intermediate Similarity NPC83248
0.6957 Remote Similarity NPC10262
0.6957 Remote Similarity NPC65832
0.6957 Remote Similarity NPC311668
0.6944 Remote Similarity NPC145627
0.6941 Remote Similarity NPC469363
0.6933 Remote Similarity NPC254617
0.6933 Remote Similarity NPC74555
0.6933 Remote Similarity NPC306763
0.6933 Remote Similarity NPC266242
0.6933 Remote Similarity NPC171850
0.6933 Remote Similarity NPC474469
0.6901 Remote Similarity NPC319131
0.68 Remote Similarity NPC184150
0.68 Remote Similarity NPC141156
0.68 Remote Similarity NPC59221
0.6769 Remote Similarity NPC121062
0.6769 Remote Similarity NPC96966
0.6769 Remote Similarity NPC29222
0.6747 Remote Similarity NPC219340
0.6709 Remote Similarity NPC208657
0.6707 Remote Similarity NPC473972
0.6707 Remote Similarity NPC475363
0.6707 Remote Similarity NPC473971
0.6702 Remote Similarity NPC315036
0.6667 Remote Similarity NPC294883
0.6667 Remote Similarity NPC12514
0.6591 Remote Similarity NPC470282
0.6579 Remote Similarity NPC129100
0.6579 Remote Similarity NPC322801
0.6579 Remote Similarity NPC291650
0.6526 Remote Similarity NPC56298
0.6526 Remote Similarity NPC471628
0.6522 Remote Similarity NPC272396
0.6522 Remote Similarity NPC277072
0.6522 Remote Similarity NPC178263
0.6522 Remote Similarity NPC270041
0.65 Remote Similarity NPC26932
0.6494 Remote Similarity NPC195165
0.6494 Remote Similarity NPC107224
0.6437 Remote Similarity NPC253975
0.6437 Remote Similarity NPC125253
0.6437 Remote Similarity NPC192025
0.6429 Remote Similarity NPC318258
0.6364 Remote Similarity NPC83839
0.6341 Remote Similarity NPC62293
0.6341 Remote Similarity NPC140327
0.6341 Remote Similarity NPC51055
0.6341 Remote Similarity NPC212008
0.6301 Remote Similarity NPC216415
0.6301 Remote Similarity NPC476537
0.625 Remote Similarity NPC471605
0.625 Remote Similarity NPC477200
0.625 Remote Similarity NPC471443
0.625 Remote Similarity NPC315170
0.6211 Remote Similarity NPC313821
0.6197 Remote Similarity NPC275727
0.6173 Remote Similarity NPC185084
0.6145 Remote Similarity NPC3094
0.6145 Remote Similarity NPC244539
0.6125 Remote Similarity NPC223174
0.6125 Remote Similarity NPC327753
0.6125 Remote Similarity NPC327486
0.6071 Remote Similarity NPC313762
0.6067 Remote Similarity NPC476523
0.6024 Remote Similarity NPC78562
0.6024 Remote Similarity NPC473588
0.6 Remote Similarity NPC474627
0.6 Remote Similarity NPC328786
0.6 Remote Similarity NPC201338
0.6 Remote Similarity NPC314306
0.5978 Remote Similarity NPC470284
0.5977 Remote Similarity NPC207657
0.5976 Remote Similarity NPC55274
0.5972 Remote Similarity NPC471423
0.5972 Remote Similarity NPC471442
0.5955 Remote Similarity NPC320936
0.5952 Remote Similarity NPC264417
0.5952 Remote Similarity NPC217095
0.5949 Remote Similarity NPC113224
0.5946 Remote Similarity NPC168308
0.5946 Remote Similarity NPC302569
0.5938 Remote Similarity NPC471635
0.5938 Remote Similarity NPC119225
0.5938 Remote Similarity NPC470382
0.5938 Remote Similarity NPC25033
0.5938 Remote Similarity NPC476261
0.5934 Remote Similarity NPC313552
0.593 Remote Similarity NPC316807
0.5909 Remote Similarity NPC315969
0.5909 Remote Similarity NPC81006
0.5897 Remote Similarity NPC472609
0.587 Remote Similarity NPC314408
0.587 Remote Similarity NPC477060
0.587 Remote Similarity NPC214376
0.587 Remote Similarity NPC43850
0.587 Remote Similarity NPC314007
0.587 Remote Similarity NPC123746
0.5862 Remote Similarity NPC90839
0.5862 Remote Similarity NPC314762
0.5844 Remote Similarity NPC47333
0.5843 Remote Similarity NPC93630
0.5843 Remote Similarity NPC263058
0.5814 Remote Similarity NPC314968
0.5814 Remote Similarity NPC314772
0.5811 Remote Similarity NPC293551
0.5802 Remote Similarity NPC23721
0.5795 Remote Similarity NPC79367
0.5789 Remote Similarity NPC208537
0.5789 Remote Similarity NPC270005
0.5745 Remote Similarity NPC176381
0.5745 Remote Similarity NPC195969
0.573 Remote Similarity NPC149908
0.573 Remote Similarity NPC31313
0.573 Remote Similarity NPC288415
0.573 Remote Similarity NPC45906
0.5714 Remote Similarity NPC112398
0.5696 Remote Similarity NPC41429
0.5686 Remote Similarity NPC221148
0.5676 Remote Similarity NPC477237
0.5673 Remote Similarity NPC313272
0.5673 Remote Similarity NPC319537
0.567 Remote Similarity NPC470283
0.566 Remote Similarity NPC57436
0.566 Remote Similarity NPC121479
0.5658 Remote Similarity NPC276928
0.5658 Remote Similarity NPC64250
0.5658 Remote Similarity NPC319991
0.5658 Remote Similarity NPC268927

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC476694 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
0.8769 High Similarity NPD9027 Phase 3
0.8769 High Similarity NPD9026 Phase 2
0.8769 High Similarity NPD9028 Phase 2
0.8769 High Similarity NPD9029 Phase 3
0.8333 Intermediate Similarity NPD393 Approved
0.8182 Intermediate Similarity NPD9455 Approved
0.791 Intermediate Similarity NPD9240 Approved
0.791 Intermediate Similarity NPD9239 Approved
0.7887 Intermediate Similarity NPD9443 Clinical (unspecified phase)
0.7465 Intermediate Similarity NPD9440 Discontinued
0.7385 Intermediate Similarity NPD3215 Phase 1
0.7077 Intermediate Similarity NPD3214 Discontinued
0.7042 Intermediate Similarity NPD9022 Phase 2
0.7042 Intermediate Similarity NPD9024 Phase 2
0.6988 Remote Similarity NPD882 Phase 2
0.6988 Remote Similarity NPD883 Phase 2
0.6941 Remote Similarity NPD394 Phase 3
0.6933 Remote Similarity NPD9444 Discontinued
0.6824 Remote Similarity NPD9401 Discovery
0.6582 Remote Similarity NPD6704 Discontinued
0.6579 Remote Similarity NPD9030 Approved
0.6579 Remote Similarity NPD9032 Approved
0.6579 Remote Similarity NPD9033 Approved
0.6579 Remote Similarity NPD9031 Approved
0.6526 Remote Similarity NPD4836 Approved
0.6526 Remote Similarity NPD4838 Approved
0.6526 Remote Similarity NPD4837 Approved
0.6526 Remote Similarity NPD4835 Approved
0.6316 Remote Similarity NPD4282 Approved
0.6263 Remote Similarity NPD2700 Approved
0.625 Remote Similarity NPD6439 Phase 3
0.6211 Remote Similarity NPD3190 Approved
0.6211 Remote Similarity NPD3189 Approved
0.6211 Remote Similarity NPD3191 Approved
0.6173 Remote Similarity NPD3187 Discontinued
0.6162 Remote Similarity NPD8045 Clinical (unspecified phase)
0.6125 Remote Similarity NPD9445 Approved
0.6111 Remote Similarity NPD6706 Discontinued
0.6098 Remote Similarity NPD67 Phase 2
0.6098 Remote Similarity NPD9034 Approved
0.6071 Remote Similarity NPD372 Clinical (unspecified phase)
0.6 Remote Similarity NPD6429 Approved
0.6 Remote Similarity NPD6430 Approved
0.5962 Remote Similarity NPD8087 Discontinued
0.5934 Remote Similarity NPD3200 Clinical (unspecified phase)
0.5926 Remote Similarity NPD2704 Phase 3
0.5926 Remote Similarity NPD2702 Phase 1
0.5909 Remote Similarity NPD8347 Approved
0.5909 Remote Similarity NPD8346 Approved
0.5909 Remote Similarity NPD8345 Approved
0.5905 Remote Similarity NPD2690 Discontinued
0.5888 Remote Similarity NPD3204 Clinical (unspecified phase)
0.5882 Remote Similarity NPD399 Approved
0.5882 Remote Similarity NPD398 Approved
0.5882 Remote Similarity NPD5376 Approved
0.5882 Remote Similarity NPD400 Approved
0.587 Remote Similarity NPD2698 Approved
0.587 Remote Similarity NPD3207 Approved
0.587 Remote Similarity NPD3201 Approved
0.587 Remote Similarity NPD3203 Approved
0.587 Remote Similarity NPD3209 Approved
0.587 Remote Similarity NPD3208 Approved
0.587 Remote Similarity NPD3202 Approved
0.5814 Remote Similarity NPD9434 Approved
0.5814 Remote Similarity NPD9435 Approved
0.5745 Remote Similarity NPD5797 Approved
0.5745 Remote Similarity NPD5794 Approved
0.5745 Remote Similarity NPD5798 Approved
0.5745 Remote Similarity NPD5796 Clinical (unspecified phase)
0.5745 Remote Similarity NPD5795 Approved
0.5745 Remote Similarity NPD3716 Discontinued
0.5714 Remote Similarity NPD6428 Approved
0.5686 Remote Similarity NPD1450 Approved
0.5686 Remote Similarity NPD1449 Approved
0.5673 Remote Similarity NPD8140 Approved
0.566 Remote Similarity NPD35 Approved
0.566 Remote Similarity NPD4833 Approved
0.5638 Remote Similarity NPD618 Clinical (unspecified phase)
0.5625 Remote Similarity NPD6699 Clinical (unspecified phase)
0.5625 Remote Similarity NPD9442 Clinical (unspecified phase)
0.5612 Remote Similarity NPD5381 Approved
0.5612 Remote Similarity NPD5377 Approved
0.5612 Remote Similarity NPD5378 Approved

Structure

External Identifiers

PubChem CID   11404777
ChEMBL   CHEMBL496440
ZINC  

Physicochemical Properties

Molecular Weight:  331.27
ALogP:  -5.6187
MLogP:  2.89
XLogP:  4.728
# Rotatable Bonds:  17
Polar Surface Area:  92.95
# H-Bond Aceptor:  5
# H-Bond Donor:  5
# Rings:  1
# Heavy Atoms:  23

Download Data

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