Natural Product: NPC106914

Natural Product ID:  NPC106914
Common Name:   (2S)-4,7-Dihydroxy-8-Methylflavan
IUPAC Name:   (2S)-2-(4-hydroxyphenyl)-8-methyl-3,4-dihydro-2H-chromen-7-ol
Synonyms:  
Molecular Formula:   C16H16O3
Standard InCHIKey:  GDHZZZRERDPSTA-HNNXBMFYSA-N
Standard InCHI:  InChI=1S/C16H16O3/c1-10-14(18)8-4-12-5-9-15(19-16(10)12)11-2-6-13(17)7-3-11/h2-4,6-8,15,17-18H,5,9H2,1H3/t15-/m0/s1
Canonical SMILES:  Oc1ccc(cc1)[C@@H]1CCc2c(O1)c(C)c(cc2)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
NPO12714 Dracaena cochinchinensis Species Asparagaceae Eukaryota Stems Ningming County, Guangxi autonomous region, China 2006-JAN PMID[17883259]
NPO3545 Dracaena draco Species Asparagaceae Eukaryota TCMID*
NPO21581 Polygala arillata Species Polygalaceae Eukaryota TCMID*
NPO3545 Dracaena draco Species Asparagaceae Eukaryota TCM_Taiwan*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT451 Organism Helicobacter pylori Helicobacter pylori MIC = 31300 nM 17883259

  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 NPC106914 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 NPC86502
1.0 High Similarity NPC197351
1.0 High Similarity NPC246648
1.0 High Similarity NPC134195
0.9915 High Similarity NPC17809
0.9915 High Similarity NPC285040
0.9915 High Similarity NPC188022
0.9915 High Similarity NPC102540
0.9915 High Similarity NPC103420
0.9832 High Similarity NPC276212
0.9829 High Similarity NPC36016
0.9829 High Similarity NPC100099
0.975 High Similarity NPC149796
0.9746 High Similarity NPC38761
0.9746 High Similarity NPC76465
0.9669 High Similarity NPC274717
0.9576 High Similarity NPC54972
0.9573 High Similarity NPC258979
0.9573 High Similarity NPC93398
0.9573 High Similarity NPC8283
0.9508 High Similarity NPC53986
0.9508 High Similarity NPC38664
0.9435 High Similarity NPC228369
0.9435 High Similarity NPC236014
0.9435 High Similarity NPC196765
0.9435 High Similarity NPC476166
0.9435 High Similarity NPC17343
0.9435 High Similarity NPC300875
0.9435 High Similarity NPC118114
0.9435 High Similarity NPC150011
0.9435 High Similarity NPC103799
0.9435 High Similarity NPC129106
0.9435 High Similarity NPC207892
0.9435 High Similarity NPC164574
0.9435 High Similarity NPC268917
0.9435 High Similarity NPC12875
0.9435 High Similarity NPC129784
0.9435 High Similarity NPC206224
0.9435 High Similarity NPC280653
0.9431 High Similarity NPC93962
0.9402 High Similarity NPC131118
0.936 High Similarity NPC13005
0.9355 High Similarity NPC470225
0.9355 High Similarity NPC27187
0.935 High Similarity NPC87224
0.935 High Similarity NPC222572
0.9344 High Similarity NPC50315
0.9344 High Similarity NPC283049
0.9344 High Similarity NPC230479
0.9344 High Similarity NPC26879
0.9322 High Similarity NPC295259
0.9322 High Similarity NPC59561
0.9322 High Similarity NPC172253
0.9286 High Similarity NPC85435
0.928 High Similarity NPC211413
0.928 High Similarity NPC68205
0.928 High Similarity NPC293203
0.928 High Similarity NPC118683
0.928 High Similarity NPC164804
0.928 High Similarity NPC181497
0.928 High Similarity NPC244888
0.928 High Similarity NPC271945
0.9274 High Similarity NPC134360
0.925 High Similarity NPC193364
0.9237 High Similarity NPC74821
0.9231 High Similarity NPC85292
0.9231 High Similarity NPC229147
0.9231 High Similarity NPC54507
0.9213 High Similarity NPC115335
0.9213 High Similarity NPC198154
0.9213 High Similarity NPC296915
0.9213 High Similarity NPC473107
0.9213 High Similarity NPC124085
0.9213 High Similarity NPC223008
0.9213 High Similarity NPC117048
0.9213 High Similarity NPC97834
0.9213 High Similarity NPC225696
0.9194 High Similarity NPC39064
0.9194 High Similarity NPC47283
0.918 High Similarity NPC159132
0.9145 High Similarity NPC185541
0.9145 High Similarity NPC464
0.9141 High Similarity NPC473413
0.9134 High Similarity NPC77196
0.9134 High Similarity NPC92805
0.9127 High Similarity NPC162801
0.9106 High Similarity NPC207179
0.9106 High Similarity NPC278552
0.9106 High Similarity NPC167571
0.9091 High Similarity NPC476633
0.907 High Similarity NPC471522
0.907 High Similarity NPC262585
0.907 High Similarity NPC20829
0.907 High Similarity NPC18189
0.907 High Similarity NPC3049
0.9032 High Similarity NPC262573
0.9032 High Similarity NPC471215
0.9016 High Similarity NPC150026
0.9 High Similarity NPC470308
0.9 High Similarity NPC474687
0.9 High Similarity NPC470307
0.8984 High Similarity NPC11060
0.8984 High Similarity NPC215037
0.8952 High Similarity NPC81641
0.8934 High Similarity NPC190454
0.8934 High Similarity NPC97432
0.8931 High Similarity NPC32630
0.8931 High Similarity NPC475836
0.8923 High Similarity NPC470802
0.8915 High Similarity NPC476617
0.8915 High Similarity NPC476616
0.8915 High Similarity NPC476615
0.8898 High Similarity NPC32463
0.8871 High Similarity NPC270030
0.8871 High Similarity NPC256015
0.8871 High Similarity NPC294156
0.8862 High Similarity NPC57199
0.8846 High Similarity NPC112246
0.8846 High Similarity NPC474206
0.8846 High Similarity NPC94750
0.8846 High Similarity NPC112939
0.8846 High Similarity NPC151224
0.8846 High Similarity NPC470356
0.8846 High Similarity NPC121812
0.8846 High Similarity NPC61946
0.8846 High Similarity NPC125579
0.8833 High Similarity NPC474933
0.8833 High Similarity NPC69261
0.8833 High Similarity NPC33270
0.8828 High Similarity NPC160623
0.8819 High Similarity NPC16577
0.881 High Similarity NPC46978
0.881 High Similarity NPC473134
0.88 High Similarity NPC293801
0.88 High Similarity NPC105031
0.8797 High Similarity NPC265075
0.8797 High Similarity NPC5155
0.879 High Similarity NPC474160
0.8788 High Similarity NPC260741
0.8788 High Similarity NPC70682
0.8779 High Similarity NPC230734
0.8779 High Similarity NPC306441
0.8779 High Similarity NPC16435
0.8779 High Similarity NPC234952
0.8779 High Similarity NPC474639
0.8779 High Similarity NPC227503
0.8769 High Similarity NPC317380
0.8769 High Similarity NPC131950
0.876 High Similarity NPC472798
0.875 High Similarity NPC150624
0.875 High Similarity NPC141090
0.8731 High Similarity NPC84207
0.8731 High Similarity NPC5253
0.8731 High Similarity NPC139976
0.8731 High Similarity NPC230718
0.8731 High Similarity NPC49542
0.8731 High Similarity NPC128337
0.873 High Similarity NPC170485
0.8712 High Similarity NPC102904
0.8712 High Similarity NPC176051
0.8712 High Similarity NPC87777
0.8712 High Similarity NPC262328
0.8712 High Similarity NPC474282
0.8712 High Similarity NPC103976
0.8712 High Similarity NPC211549
0.8712 High Similarity NPC107551
0.8712 High Similarity NPC326797
0.8702 High Similarity NPC234333
0.8702 High Similarity NPC47398
0.8702 High Similarity NPC164787
0.8702 High Similarity NPC195022
0.8702 High Similarity NPC260898
0.8699 High Similarity NPC102639
0.8692 High Similarity NPC263064
0.8692 High Similarity NPC475840
0.8692 High Similarity NPC177712
0.8692 High Similarity NPC24913
0.8689 High Similarity NPC184302
0.8672 High Similarity NPC472797
0.8672 High Similarity NPC472796
0.8672 High Similarity NPC472795
0.8672 High Similarity NPC222108
0.8672 High Similarity NPC96719
0.8667 High Similarity NPC808
0.8667 High Similarity NPC53906
0.8661 High Similarity NPC243688
0.8657 High Similarity NPC35216
0.8657 High Similarity NPC100482
0.8657 High Similarity NPC277331
0.8651 High Similarity NPC131397
0.8651 High Similarity NPC113495
0.8651 High Similarity NPC476254
0.8647 High Similarity NPC35501
0.8647 High Similarity NPC47040
0.8647 High Similarity NPC37428
0.8647 High Similarity NPC278600
0.8647 High Similarity NPC137262
0.8647 High Similarity NPC144512
0.8647 High Similarity NPC471388
0.8636 High Similarity NPC270456

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC106914 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
0.9355 High Similarity NPD4907 Clinical (unspecified phase)
0.925 High Similarity NPD1610 Phase 2
0.9237 High Similarity NPD1548 Phase 1
0.9194 High Similarity NPD4908 Phase 1
0.8819 High Similarity NPD4625 Phase 3
0.8615 High Similarity NPD1613 Approved
0.8615 High Similarity NPD1612 Clinical (unspecified phase)
0.8516 High Similarity NPD2861 Phase 2
0.8492 Intermediate Similarity NPD4749 Approved
0.8462 Intermediate Similarity NPD6410 Clinical (unspecified phase)
0.845 Intermediate Similarity NPD1529 Clinical (unspecified phase)
0.8409 Intermediate Similarity NPD5124 Phase 1
0.8409 Intermediate Similarity NPD5123 Clinical (unspecified phase)
0.8372 Intermediate Similarity NPD1530 Clinical (unspecified phase)
0.8333 Intermediate Similarity NPD422 Phase 1
0.8321 Intermediate Similarity NPD6859 Clinical (unspecified phase)
0.8273 Intermediate Similarity NPD7213 Phase 3
0.8273 Intermediate Similarity NPD7212 Phase 2
0.8244 Intermediate Similarity NPD3027 Phase 3
0.8235 Intermediate Similarity NPD1550 Clinical (unspecified phase)
0.8235 Intermediate Similarity NPD1552 Clinical (unspecified phase)
0.8175 Intermediate Similarity NPD1549 Phase 2
0.8085 Intermediate Similarity NPD4378 Clinical (unspecified phase)
0.8085 Intermediate Similarity NPD7447 Phase 1
0.8034 Intermediate Similarity NPD940 Approved
0.8034 Intermediate Similarity NPD846 Approved
0.8014 Intermediate Similarity NPD2393 Clinical (unspecified phase)
0.8 Intermediate Similarity NPD7615 Clinical (unspecified phase)
0.7986 Intermediate Similarity NPD5698 Clinical (unspecified phase)
0.7959 Intermediate Similarity NPD8443 Clinical (unspecified phase)
0.7934 Intermediate Similarity NPD2684 Approved
0.7923 Intermediate Similarity NPD6582 Phase 2
0.7923 Intermediate Similarity NPD6583 Phase 3
0.792 Intermediate Similarity NPD6671 Approved
0.7917 Intermediate Similarity NPD968 Approved
0.7907 Intermediate Similarity NPD1091 Approved
0.7899 Intermediate Similarity NPD2796 Approved
0.7883 Intermediate Similarity NPD4536 Approved
0.7883 Intermediate Similarity NPD4538 Approved
0.7883 Intermediate Similarity NPD4537 Clinical (unspecified phase)
0.7879 Intermediate Similarity NPD6917 Clinical (unspecified phase)
0.7877 Intermediate Similarity NPD7411 Suspended
0.7863 Intermediate Similarity NPD8651 Approved
0.7852 Intermediate Similarity NPD7075 Discontinued
0.7851 Intermediate Similarity NPD290 Approved
0.7832 Intermediate Similarity NPD7410 Clinical (unspecified phase)
0.7808 Intermediate Similarity NPD4380 Phase 2
0.7794 Intermediate Similarity NPD1240 Approved
0.7794 Intermediate Similarity NPD4060 Phase 1
0.7786 Intermediate Similarity NPD3600 Clinical (unspecified phase)
0.777 Intermediate Similarity NPD6099 Approved
0.777 Intermediate Similarity NPD7096 Clinical (unspecified phase)
0.777 Intermediate Similarity NPD6100 Approved
0.7744 Intermediate Similarity NPD6584 Phase 3
0.773 Intermediate Similarity NPD7421 Clinical (unspecified phase)
0.773 Intermediate Similarity NPD1652 Phase 2
0.7703 Intermediate Similarity NPD1934 Approved
0.7698 Intermediate Similarity NPD1510 Phase 2
0.7698 Intermediate Similarity NPD5960 Phase 3
0.7698 Intermediate Similarity NPD5588 Approved
0.7698 Intermediate Similarity NPD7033 Discontinued
0.7681 Intermediate Similarity NPD1607 Approved
0.768 Intermediate Similarity NPD7843 Approved
0.768 Intermediate Similarity NPD5535 Approved
0.7676 Intermediate Similarity NPD3750 Approved
0.7676 Intermediate Similarity NPD7466 Approved
0.7669 Intermediate Similarity NPD2797 Approved
0.7667 Intermediate Similarity NPD7768 Phase 2
0.7651 Intermediate Similarity NPD7819 Suspended
0.7647 Intermediate Similarity NPD6798 Discontinued
0.7615 Intermediate Similarity NPD6516 Phase 2
0.7615 Intermediate Similarity NPD5846 Approved
0.7612 Intermediate Similarity NPD3691 Phase 2
0.7612 Intermediate Similarity NPD3690 Phase 2
0.7607 Intermediate Similarity NPD2860 Approved
0.7607 Intermediate Similarity NPD2859 Approved
0.7584 Intermediate Similarity NPD6801 Discontinued
0.7581 Intermediate Similarity NPD5451 Approved
0.7571 Intermediate Similarity NPD3846 Clinical (unspecified phase)
0.7569 Intermediate Similarity NPD5058 Phase 3
0.7556 Intermediate Similarity NPD3018 Phase 2
0.7552 Intermediate Similarity NPD6398 Clinical (unspecified phase)
0.754 Intermediate Similarity NPD821 Approved
0.7521 Intermediate Similarity NPD2933 Approved
0.7521 Intermediate Similarity NPD2934 Approved
0.75 Intermediate Similarity NPD7157 Approved
0.75 Intermediate Similarity NPD2200 Suspended
0.75 Intermediate Similarity NPD1242 Phase 1
0.75 Intermediate Similarity NPD2557 Approved
0.75 Intermediate Similarity NPD4381 Clinical (unspecified phase)
0.7468 Intermediate Similarity NPD6959 Discontinued
0.7463 Intermediate Similarity NPD3225 Approved
0.7463 Intermediate Similarity NPD6696 Suspended
0.7462 Intermediate Similarity NPD6580 Approved
0.7462 Intermediate Similarity NPD6581 Approved
0.7448 Intermediate Similarity NPD6666 Approved
0.7448 Intermediate Similarity NPD6667 Approved
0.7442 Intermediate Similarity NPD3596 Phase 2
0.744 Intermediate Similarity NPD4750 Phase 3
0.7436 Intermediate Similarity NPD7852 Clinical (unspecified phase)
0.7434 Intermediate Similarity NPD4868 Clinical (unspecified phase)
0.7431 Intermediate Similarity NPD3892 Phase 2
0.7429 Intermediate Similarity NPD3052 Approved
0.7429 Intermediate Similarity NPD3054 Approved
0.7417 Intermediate Similarity NPD3020 Approved
0.7413 Intermediate Similarity NPD2424 Discontinued
0.7405 Intermediate Similarity NPD6830 Clinical (unspecified phase)
0.7405 Intermediate Similarity NPD7804 Clinical (unspecified phase)
0.7397 Intermediate Similarity NPD6799 Approved
0.7394 Intermediate Similarity NPD1551 Phase 2
0.7391 Intermediate Similarity NPD3268 Approved
0.7388 Intermediate Similarity NPD2983 Phase 2
0.7388 Intermediate Similarity NPD2982 Phase 2
0.7388 Intermediate Similarity NPD5327 Phase 3
0.7383 Intermediate Similarity NPD8158 Clinical (unspecified phase)
0.7376 Intermediate Similarity NPD7097 Phase 1
0.7357 Intermediate Similarity NPD6355 Discontinued
0.7357 Intermediate Similarity NPD5735 Approved
0.7348 Intermediate Similarity NPD4626 Approved
0.7347 Intermediate Similarity NPD7004 Clinical (unspecified phase)
0.7338 Intermediate Similarity NPD6233 Phase 2
0.7328 Intermediate Similarity NPD1894 Discontinued
0.7325 Intermediate Similarity NPD6166 Phase 2
0.7325 Intermediate Similarity NPD6167 Clinical (unspecified phase)
0.7325 Intermediate Similarity NPD6168 Clinical (unspecified phase)
0.7324 Intermediate Similarity NPD3748 Approved
0.7315 Intermediate Similarity NPD1653 Approved
0.7313 Intermediate Similarity NPD2981 Phase 2
0.731 Intermediate Similarity NPD4535 Phase 3
0.7305 Intermediate Similarity NPD4097 Suspended
0.7303 Intermediate Similarity NPD2801 Approved
0.7296 Intermediate Similarity NPD5844 Phase 1
0.7286 Intermediate Similarity NPD5837 Clinical (unspecified phase)
0.7286 Intermediate Similarity NPD2238 Phase 2
0.7286 Intermediate Similarity NPD4140 Approved
0.7285 Intermediate Similarity NPD6072 Discontinued
0.7279 Intermediate Similarity NPD7040 Clinical (unspecified phase)
0.7279 Intermediate Similarity NPD7041 Phase 2
0.7279 Intermediate Similarity NPD1511 Approved
0.7273 Intermediate Similarity NPD3049 Approved
0.7273 Intermediate Similarity NPD3445 Approved
0.7273 Intermediate Similarity NPD5691 Approved
0.7273 Intermediate Similarity NPD4476 Approved
0.7273 Intermediate Similarity NPD2935 Discontinued
0.7273 Intermediate Similarity NPD3444 Approved
0.7273 Intermediate Similarity NPD4477 Approved
0.7273 Intermediate Similarity NPD3443 Approved
0.7267 Intermediate Similarity NPD6559 Discontinued
0.7259 Intermediate Similarity NPD3685 Discontinued
0.7254 Intermediate Similarity NPD4978 Clinical (unspecified phase)
0.7248 Intermediate Similarity NPD5403 Approved
0.7246 Intermediate Similarity NPD1008 Clinical (unspecified phase)
0.7241 Intermediate Similarity NPD6674 Discontinued
0.7239 Intermediate Similarity NPD1547 Clinical (unspecified phase)
0.7234 Intermediate Similarity NPD4340 Discontinued
0.7222 Intermediate Similarity NPD6004 Phase 3
0.7222 Intermediate Similarity NPD6005 Phase 3
0.7222 Intermediate Similarity NPD7030 Discontinued
0.7222 Intermediate Similarity NPD6006 Clinical (unspecified phase)
0.7222 Intermediate Similarity NPD6003 Clinical (unspecified phase)
0.7222 Intermediate Similarity NPD6002 Phase 3
0.7219 Intermediate Similarity NPD6599 Discontinued
0.7218 Intermediate Similarity NPD2556 Approved
0.7218 Intermediate Similarity NPD5238 Clinical (unspecified phase)
0.7218 Intermediate Similarity NPD2554 Approved
0.7218 Intermediate Similarity NPD1778 Approved
0.7214 Intermediate Similarity NPD6405 Approved
0.7214 Intermediate Similarity NPD6407 Approved
0.7214 Intermediate Similarity NPD7477 Discontinued
0.7209 Intermediate Similarity NPD5283 Phase 1
0.7209 Intermediate Similarity NPD1398 Phase 1
0.7208 Intermediate Similarity NPD3882 Suspended
0.7206 Intermediate Similarity NPD7258 Clinical (unspecified phase)
0.7197 Intermediate Similarity NPD7229 Phase 3
0.7192 Intermediate Similarity NPD4628 Phase 3
0.719 Intermediate Similarity NPD8455 Phase 2
0.719 Intermediate Similarity NPD7046 Clinical (unspecified phase)
0.7188 Intermediate Similarity NPD228 Approved
0.7185 Intermediate Similarity NPD1608 Approved
0.7185 Intermediate Similarity NPD2231 Phase 2
0.7185 Intermediate Similarity NPD2235 Phase 2
0.7183 Intermediate Similarity NPD6353 Approved
0.7181 Intermediate Similarity NPD1512 Approved
0.7179 Intermediate Similarity NPD5494 Approved
0.7176 Intermediate Similarity NPD7340 Approved
0.7167 Intermediate Similarity NPD1809 Phase 2
0.7164 Intermediate Similarity NPD3496 Discontinued
0.7164 Intermediate Similarity NPD3847 Discontinued
0.7143 Intermediate Similarity NPD3056 Clinical (unspecified phase)
0.7143 Intermediate Similarity NPD7294 Phase 1
0.7143 Intermediate Similarity NPD7074 Phase 3
0.7143 Intermediate Similarity NPD845 Approved
0.7143 Intermediate Similarity NPD1296 Phase 2
0.7132 Intermediate Similarity NPD6543 Approved
0.7132 Intermediate Similarity NPD6539 Approved
0.7132 Intermediate Similarity NPD6540 Phase 3
0.7132 Intermediate Similarity NPD6542 Approved
0.7124 Intermediate Similarity NPD37 Approved
0.7123 Intermediate Similarity NPD2800 Approved
0.7115 Intermediate Similarity NPD6234 Discontinued

Structure

External Identifiers

PubChem CID   442361
ChEMBL   CHEMBL251978
ZINC  

Physicochemical Properties

Molecular Weight:  256.11
ALogP:  -0.7087
MLogP:  2.89
XLogP:  3.045
# Rotatable Bonds:  4
Polar Surface Area:  49.69
# H-Bond Aceptor:  0
# H-Bond Donor:  2
# Rings:  3
# Heavy Atoms:  19

Download Data

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