Natural Product: NPC266650

Natural Product ID:  NPC266650
Common Name:   n.a.
IUPAC Name:  
Synonyms:  
Molecular Formula:   C21H26O8S
Standard InCHIKey:  ULRXAJKMNKLJEY-OAHLLOKOSA-N
Standard InCHI:  InChI=1S/C21H26O8S/c1-27-20-17-12-14(19(23)21(20)28-2)5-3-4-6-15(29-30(24,25)26)9-7-13-8-10-18(22)16(17)11-13/h8,10-12,15,22-23H,3-7,9H2,1-2H3,(H,24,25,26)/t15-/m1/s1
Canonical SMILES:  COc1c2cc(c(c1OC)O)CCCC[C@H](CCc1cc2c(O)cc1)OS(=O)(=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
NPO31026 Myrica rubra Species Myricaceae Eukaryota barks PMID[23066712]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT2 Others Unspecified Activity = 8680 umolequiv/g 17269824
NPT2 Others Unspecified IC50 = 786.9 ug/ml 17269824

  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 NPC266650 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
0.9549 High Similarity NPC256262
0.9545 High Similarity NPC170185
0.9173 High Similarity NPC143483
0.9167 High Similarity NPC28765
0.9167 High Similarity NPC154866
0.9137 High Similarity NPC41782
0.9104 High Similarity NPC474017
0.9098 High Similarity NPC170844
0.9098 High Similarity NPC476968
0.9098 High Similarity NPC212015
0.9091 High Similarity NPC266555
0.9091 High Similarity NPC236791
0.9091 High Similarity NPC124452
0.9091 High Similarity NPC21563
0.9091 High Similarity NPC252131
0.9091 High Similarity NPC74817
0.9091 High Similarity NPC324112
0.9091 High Similarity NPC159968
0.9091 High Similarity NPC82679
0.9091 High Similarity NPC293054
0.9091 High Similarity NPC282000
0.9091 High Similarity NPC169474
0.9091 High Similarity NPC246620
0.9065 High Similarity NPC87725
0.9065 High Similarity NPC263261
0.9058 High Similarity NPC70682
0.9058 High Similarity NPC260741
0.9051 High Similarity NPC202846
0.9051 High Similarity NPC133025
0.9051 High Similarity NPC143139
0.9037 High Similarity NPC6451
0.903 High Similarity NPC126836
0.903 High Similarity NPC51840
0.903 High Similarity NPC311680
0.903 High Similarity NPC234488
0.903 High Similarity NPC299221
0.9023 High Similarity NPC186843
0.9023 High Similarity NPC206615
0.9023 High Similarity NPC472968
0.9023 High Similarity NPC98631
0.9023 High Similarity NPC470213
0.9015 High Similarity NPC78974
0.9015 High Similarity NPC223953
0.9015 High Similarity NPC223136
0.9015 High Similarity NPC28730
0.9015 High Similarity NPC18924
0.9015 High Similarity NPC103823
0.9015 High Similarity NPC214406
0.9015 High Similarity NPC44748
0.8993 High Similarity NPC12668
0.8993 High Similarity NPC308768
0.8993 High Similarity NPC295719
0.8993 High Similarity NPC73505
0.8993 High Similarity NPC165026
0.8993 High Similarity NPC34431
0.8986 High Similarity NPC86605
0.8986 High Similarity NPC156948
0.8986 High Similarity NPC46277
0.8986 High Similarity NPC56329
0.8986 High Similarity NPC3072
0.8986 High Similarity NPC242715
0.8986 High Similarity NPC301765
0.8978 High Similarity NPC112939
0.8978 High Similarity NPC473413
0.8978 High Similarity NPC474206
0.8978 High Similarity NPC112246
0.8978 High Similarity NPC158142
0.8978 High Similarity NPC294884
0.8978 High Similarity NPC69029
0.8978 High Similarity NPC121812
0.8978 High Similarity NPC200557
0.8978 High Similarity NPC108198
0.8978 High Similarity NPC94750
0.8978 High Similarity NPC241241
0.8978 High Similarity NPC10314
0.8978 High Similarity NPC470356
0.8971 High Similarity NPC32778
0.8971 High Similarity NPC475840
0.8971 High Similarity NPC158331
0.8963 High Similarity NPC45715
0.8963 High Similarity NPC232275
0.8963 High Similarity NPC15543
0.8963 High Similarity NPC474356
0.8963 High Similarity NPC12275
0.8963 High Similarity NPC470095
0.8963 High Similarity NPC470096
0.8955 High Similarity NPC58164
0.8955 High Similarity NPC10225
0.8947 High Similarity NPC127587
0.8947 High Similarity NPC242032
0.8939 High Similarity NPC221077
0.8939 High Similarity NPC17943
0.8939 High Similarity NPC208950
0.8939 High Similarity NPC299584
0.8939 High Similarity NPC475169
0.8939 High Similarity NPC82483
0.8939 High Similarity NPC116907
0.8939 High Similarity NPC234400
0.8939 High Similarity NPC60885
0.8939 High Similarity NPC233410
0.8939 High Similarity NPC298757
0.8939 High Similarity NPC57490
0.8939 High Similarity NPC117214
0.8939 High Similarity NPC193544
0.8939 High Similarity NPC105925
0.8939 High Similarity NPC251855
0.8939 High Similarity NPC203133
0.8939 High Similarity NPC265483
0.8939 High Similarity NPC472093
0.8929 High Similarity NPC19158
0.8929 High Similarity NPC35216
0.8921 High Similarity NPC243759
0.8921 High Similarity NPC79622
0.8921 High Similarity NPC32630
0.8921 High Similarity NPC230124
0.8921 High Similarity NPC212942
0.8921 High Similarity NPC29868
0.8921 High Similarity NPC220344
0.8921 High Similarity NPC275061
0.8921 High Similarity NPC6300
0.8921 High Similarity NPC184613
0.8921 High Similarity NPC22517
0.8921 High Similarity NPC132804
0.8921 High Similarity NPC105847
0.8921 High Similarity NPC218131
0.8921 High Similarity NPC471183
0.8921 High Similarity NPC114171
0.8921 High Similarity NPC243996
0.8913 High Similarity NPC30632
0.8913 High Similarity NPC162659
0.8913 High Similarity NPC227503
0.8913 High Similarity NPC470802
0.8913 High Similarity NPC474639
0.8913 High Similarity NPC306441
0.8913 High Similarity NPC270456
0.8913 High Similarity NPC265433
0.8913 High Similarity NPC16435
0.8913 High Similarity NPC230734
0.8913 High Similarity NPC472336
0.8913 High Similarity NPC248727
0.8913 High Similarity NPC472334
0.8905 High Similarity NPC206737
0.8905 High Similarity NPC326095
0.8905 High Similarity NPC56764
0.8905 High Similarity NPC469659
0.8905 High Similarity NPC7515
0.8905 High Similarity NPC244983
0.8905 High Similarity NPC287745
0.8905 High Similarity NPC125649
0.8905 High Similarity NPC276026
0.8905 High Similarity NPC160697
0.8905 High Similarity NPC289258
0.8905 High Similarity NPC188378
0.8905 High Similarity NPC555
0.8897 High Similarity NPC204215
0.8897 High Similarity NPC175067
0.8897 High Similarity NPC7903
0.8897 High Similarity NPC253105
0.8897 High Similarity NPC184447
0.8897 High Similarity NPC16208
0.8897 High Similarity NPC35932
0.8897 High Similarity NPC201587
0.8897 High Similarity NPC160991
0.8889 High Similarity NPC224157
0.8889 High Similarity NPC192687
0.8881 High Similarity NPC266691
0.8881 High Similarity NPC474799
0.8881 High Similarity NPC260397
0.8873 High Similarity NPC280092
0.8873 High Similarity NPC12641
0.8873 High Similarity NPC473108
0.8873 High Similarity NPC45257
0.8873 High Similarity NPC50250
0.8873 High Similarity NPC93323
0.8872 High Similarity NPC76451
0.8865 High Similarity NPC59841
0.8865 High Similarity NPC175838
0.8865 High Similarity NPC204347
0.8865 High Similarity NPC2613
0.8865 High Similarity NPC475891
0.8864 High Similarity NPC206487
0.8864 High Similarity NPC5796
0.8857 High Similarity NPC259519
0.8857 High Similarity NPC309124
0.8857 High Similarity NPC160283
0.8857 High Similarity NPC184797
0.8857 High Similarity NPC254759
0.8849 High Similarity NPC230919
0.8849 High Similarity NPC200935
0.8849 High Similarity NPC103976
0.8849 High Similarity NPC266006
0.8849 High Similarity NPC6262
0.8849 High Similarity NPC73535
0.8849 High Similarity NPC272157
0.8849 High Similarity NPC266453
0.8849 High Similarity NPC90615
0.8849 High Similarity NPC25111
0.8849 High Similarity NPC201145
0.8849 High Similarity NPC22902
0.8849 High Similarity NPC477938

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC266650 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
0.9098 High Similarity NPD3027 Phase 3
0.8623 High Similarity NPD1612 Clinical (unspecified phase)
0.8623 High Similarity NPD1613 Approved
0.8467 Intermediate Similarity NPD1529 Clinical (unspecified phase)
0.8394 Intermediate Similarity NPD1530 Clinical (unspecified phase)
0.8129 Intermediate Similarity NPD3018 Phase 2
0.8085 Intermediate Similarity NPD4907 Clinical (unspecified phase)
0.7971 Intermediate Similarity NPD2982 Phase 2
0.7971 Intermediate Similarity NPD2983 Phase 2
0.7943 Intermediate Similarity NPD4908 Phase 1
0.7935 Intermediate Similarity NPD2393 Clinical (unspecified phase)
0.7899 Intermediate Similarity NPD2981 Phase 2
0.7887 Intermediate Similarity NPD4625 Phase 3
0.7871 Intermediate Similarity NPD1934 Approved
0.7848 Intermediate Similarity NPD6234 Discontinued
0.7826 Intermediate Similarity NPD1610 Phase 2
0.782 Intermediate Similarity NPD5283 Phase 1
0.7803 Intermediate Similarity NPD228 Approved
0.777 Intermediate Similarity NPD3540 Phase 1
0.7756 Intermediate Similarity NPD37 Approved
0.7703 Intermediate Similarity NPD3539 Phase 1
0.7702 Intermediate Similarity NPD6232 Discontinued
0.7667 Intermediate Similarity NPD5698 Clinical (unspecified phase)
0.7664 Intermediate Similarity NPD1548 Phase 1
0.7622 Intermediate Similarity NPD2861 Phase 2
0.7613 Intermediate Similarity NPD1653 Approved
0.761 Intermediate Similarity NPD4967 Phase 2
0.761 Intermediate Similarity NPD4966 Approved
0.761 Intermediate Similarity NPD4868 Clinical (unspecified phase)
0.761 Intermediate Similarity NPD4965 Approved
0.7607 Intermediate Similarity NPD6168 Clinical (unspecified phase)
0.7607 Intermediate Similarity NPD6167 Clinical (unspecified phase)
0.7607 Intermediate Similarity NPD6166 Phase 2
0.7603 Intermediate Similarity NPD3620 Phase 2
0.7603 Intermediate Similarity NPD3619 Clinical (unspecified phase)
0.7603 Intermediate Similarity NPD4060 Phase 1
0.7595 Intermediate Similarity NPD2801 Approved
0.7589 Intermediate Similarity NPD3600 Clinical (unspecified phase)
0.7589 Intermediate Similarity NPD4379 Clinical (unspecified phase)
0.7561 Intermediate Similarity NPD7473 Discontinued
0.7552 Intermediate Similarity NPD6917 Clinical (unspecified phase)
0.7519 Intermediate Similarity NPD3021 Approved
0.7519 Intermediate Similarity NPD3022 Approved
0.7516 Intermediate Similarity NPD4380 Phase 2
0.7515 Intermediate Similarity NPD7228 Approved
0.75 Intermediate Similarity NPD3882 Suspended
0.747 Intermediate Similarity NPD5844 Phase 1
0.7466 Intermediate Similarity NPD6410 Clinical (unspecified phase)
0.7465 Intermediate Similarity NPD4749 Approved
0.7453 Intermediate Similarity NPD7975 Clinical (unspecified phase)
0.7451 Intermediate Similarity NPD5307 Clinical (unspecified phase)
0.7434 Intermediate Similarity NPD6674 Discontinued
0.7425 Intermediate Similarity NPD7074 Phase 3
0.741 Intermediate Similarity NPD3818 Discontinued
0.7365 Intermediate Similarity NPD7054 Approved
0.7355 Intermediate Similarity NPD1511 Approved
0.7342 Intermediate Similarity NPD6055 Clinical (unspecified phase)
0.7329 Intermediate Similarity NPD6374 Clinical (unspecified phase)
0.7329 Intermediate Similarity NPD3817 Phase 2
0.7324 Intermediate Similarity NPD3705 Approved
0.7321 Intermediate Similarity NPD7472 Approved
0.7317 Intermediate Similarity NPD7199 Phase 2
0.7303 Intermediate Similarity NPD7266 Discontinued
0.7303 Intermediate Similarity NPD2029 Clinical (unspecified phase)
0.7292 Intermediate Similarity NPD8651 Approved
0.7273 Intermediate Similarity NPD3892 Phase 2
0.7267 Intermediate Similarity NPD1465 Phase 2
0.7261 Intermediate Similarity NPD1512 Approved
0.7256 Intermediate Similarity NPD5494 Approved
0.7248 Intermediate Similarity NPD1558 Phase 1
0.7239 Intermediate Similarity NPD4055 Discovery
0.7239 Intermediate Similarity NPD7075 Discontinued
0.7233 Intermediate Similarity NPD4005 Discontinued
0.723 Intermediate Similarity NPD6859 Clinical (unspecified phase)
0.7229 Intermediate Similarity NPD7184 Clinical (unspecified phase)
0.7219 Intermediate Similarity NPD4537 Clinical (unspecified phase)
0.7219 Intermediate Similarity NPD4536 Approved
0.7219 Intermediate Similarity NPD4538 Approved
0.7208 Intermediate Similarity NPD5177 Phase 3
0.7208 Intermediate Similarity NPD3060 Approved
0.7203 Intermediate Similarity NPD1091 Approved
0.72 Intermediate Similarity NPD3657 Discovery
0.7197 Intermediate Similarity NPD4378 Clinical (unspecified phase)
0.7194 Intermediate Similarity NPD7157 Approved
0.7188 Intermediate Similarity NPD4675 Approved
0.7188 Intermediate Similarity NPD4678 Approved
0.7179 Intermediate Similarity NPD7124 Phase 2
0.7176 Intermediate Similarity NPD6797 Phase 2
0.7152 Intermediate Similarity NPD1940 Clinical (unspecified phase)
0.7135 Intermediate Similarity NPD6559 Discontinued
0.7135 Intermediate Similarity NPD7251 Discontinued
0.7134 Intermediate Similarity NPD4357 Discontinued
0.7133 Intermediate Similarity NPD2238 Phase 2
0.7132 Intermediate Similarity NPD4750 Phase 3
0.7124 Intermediate Similarity NPD2935 Discontinued
0.7121 Intermediate Similarity NPD940 Approved
0.7121 Intermediate Similarity NPD846 Approved
0.7117 Intermediate Similarity NPD8443 Clinical (unspecified phase)
0.7113 Intermediate Similarity NPD1357 Approved
0.7108 Intermediate Similarity NPD6959 Discontinued
0.7101 Intermediate Similarity NPD7843 Approved
0.7097 Intermediate Similarity NPD1652 Phase 2
0.7093 Intermediate Similarity NPD4338 Clinical (unspecified phase)
0.7093 Intermediate Similarity NPD7808 Phase 3
0.7092 Intermediate Similarity NPD5536 Phase 2
0.7086 Intermediate Similarity NPD5123 Clinical (unspecified phase)
0.7086 Intermediate Similarity NPD5124 Phase 1
0.7083 Intermediate Similarity NPD422 Phase 1
0.7076 Intermediate Similarity NPD7993 Clinical (unspecified phase)
0.7071 Intermediate Similarity NPD6671 Approved
0.7066 Intermediate Similarity NPD7229 Phase 3
0.7063 Intermediate Similarity NPD4626 Approved
0.7059 Intermediate Similarity NPD5960 Phase 3
0.7059 Intermediate Similarity NPD5588 Approved
0.7059 Intermediate Similarity NPD2684 Approved
0.7059 Intermediate Similarity NPD1510 Phase 2
0.7055 Intermediate Similarity NPD7819 Suspended
0.7055 Intermediate Similarity NPD7096 Clinical (unspecified phase)
0.7051 Intermediate Similarity NPD6331 Phase 2
0.7045 Intermediate Similarity NPD1242 Phase 1
0.7044 Intermediate Similarity NPD5261 Clinical (unspecified phase)
0.7035 Intermediate Similarity NPD7240 Approved
0.703 Intermediate Similarity NPD4381 Clinical (unspecified phase)
0.7025 Intermediate Similarity NPD7212 Phase 2
0.7025 Intermediate Similarity NPD7213 Phase 3
0.702 Intermediate Similarity NPD1240 Approved
0.7006 Intermediate Similarity NPD2219 Phase 1
0.7006 Intermediate Similarity NPD2677 Approved
0.7006 Intermediate Similarity NPD6190 Approved
0.7 Intermediate Similarity NPD6980 Clinical (unspecified phase)
0.6994 Remote Similarity NPD6801 Discontinued
0.6993 Remote Similarity NPD6111 Discontinued
0.6987 Remote Similarity NPD4236 Phase 3
0.6987 Remote Similarity NPD4237 Approved
0.6985 Remote Similarity NPD290 Approved
0.6981 Remote Similarity NPD4160 Clinical (unspecified phase)
0.6981 Remote Similarity NPD7447 Phase 1
0.6974 Remote Similarity NPD230 Phase 1
0.6974 Remote Similarity NPD6355 Discontinued
0.6971 Remote Similarity NPD8055 Clinical (unspecified phase)
0.697 Remote Similarity NPD7768 Phase 2
0.6968 Remote Similarity NPD1552 Clinical (unspecified phase)
0.6968 Remote Similarity NPD1550 Clinical (unspecified phase)
0.6968 Remote Similarity NPD5762 Approved
0.6968 Remote Similarity NPD5763 Approved
0.6962 Remote Similarity NPD5058 Phase 3
0.6959 Remote Similarity NPD7804 Clinical (unspecified phase)
0.6954 Remote Similarity NPD2674 Phase 3
0.6951 Remote Similarity NPD2978 Approved
0.6951 Remote Similarity NPD2977 Approved
0.6951 Remote Similarity NPD8455 Phase 2
0.695 Remote Similarity NPD6387 Discontinued
0.6949 Remote Similarity NPD8397 Clinical (unspecified phase)
0.6939 Remote Similarity NPD6696 Suspended
0.6933 Remote Similarity NPD7615 Clinical (unspecified phase)
0.6933 Remote Similarity NPD6072 Discontinued
0.6928 Remote Similarity NPD4097 Suspended
0.6928 Remote Similarity NPD1607 Approved
0.6923 Remote Similarity NPD2424 Discontinued
0.6923 Remote Similarity NPD1549 Phase 2
0.6918 Remote Similarity NPD7041 Phase 2
0.6918 Remote Similarity NPD6143 Clinical (unspecified phase)
0.6918 Remote Similarity NPD7040 Clinical (unspecified phase)
0.6914 Remote Similarity NPD8053 Approved
0.6914 Remote Similarity NPD8054 Approved
0.6908 Remote Similarity NPD943 Approved
0.6903 Remote Similarity NPD2438 Suspended
0.6903 Remote Similarity NPD6100 Approved
0.6903 Remote Similarity NPD6099 Approved
0.6897 Remote Similarity NPD7549 Discontinued
0.6893 Remote Similarity NPD7906 Approved
0.6892 Remote Similarity NPD3094 Phase 2
0.6887 Remote Similarity NPD5109 Approved
0.6887 Remote Similarity NPD5111 Phase 2
0.6887 Remote Similarity NPD6798 Discontinued
0.6887 Remote Similarity NPD5110 Phase 2
0.6875 Remote Similarity NPD1651 Approved
0.6875 Remote Similarity NPD7410 Clinical (unspecified phase)
0.6875 Remote Similarity NPD4123 Phase 3
0.6875 Remote Similarity NPD2534 Approved
0.6875 Remote Similarity NPD2532 Approved
0.6875 Remote Similarity NPD2533 Approved
0.6875 Remote Similarity NPD5691 Approved
0.6871 Remote Similarity NPD1669 Approved
0.6863 Remote Similarity NPD5735 Approved
0.6859 Remote Similarity NPD1375 Discontinued
0.6857 Remote Similarity NPD7635 Approved
0.6846 Remote Similarity NPD6584 Phase 3
0.6842 Remote Similarity NPD3020 Approved
0.6842 Remote Similarity NPD4062 Phase 3
0.6839 Remote Similarity NPD6028 Clinical (unspecified phase)
0.6839 Remote Similarity NPD6029 Clinical (unspecified phase)
0.6835 Remote Similarity NPD4535 Phase 3
0.6835 Remote Similarity NPD3750 Approved
0.6835 Remote Similarity NPD4628 Phase 3
0.6835 Remote Similarity NPD4109 Clinical (unspecified phase)
0.6835 Remote Similarity NPD6398 Clinical (unspecified phase)
0.6835 Remote Similarity NPD4110 Phase 3
0.6829 Remote Similarity NPD7411 Suspended
0.6829 Remote Similarity NPD5090 Approved

Structure

External Identifiers

PubChem CID   71454818
ChEMBL   CHEMBL2152651
ZINC  

Physicochemical Properties

Molecular Weight:  438.13
ALogP:  -2.6109
MLogP:  2.78
XLogP:  1.715
# Rotatable Bonds:  9
Polar Surface Area:  130.9
# H-Bond Aceptor:  4
# H-Bond Donor:  3
# Rings:  3
# Heavy Atoms:  30

Download Data

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