Natural Product: NPC473875

Natural Product ID:  NPC473875
Common Name:   2, 2-Dimethylchroman-3, 6-Diol
IUPAC Name:   2,2-dimethyl-3,4-dihydrochromene-3,6-diol
Synonyms:  
Molecular Formula:   C11H14O3
Standard InCHIKey:  KGTUQYJWMOYGOR-UHFFFAOYSA-N
Standard InCHI:  InChI=1S/C11H14O3/c1-11(2)10(13)6-7-5-8(12)3-4-9(7)14-11/h3-5,10,12-13H,6H2,1-2H3
Canonical SMILES:  Oc1ccc2c(c1)CC(C(O2)(C)C)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
NPO32963 acremonium sp. Species NA Eukaryota PMID[12444684]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT1 Others Radical scavenging activity Activity = 85.1 % PubChem BioAssay data set
NPT1 Others Radical scavenging activity Activity = 89.9 % 20022253
NPT1 Others Radical scavenging activity Activity = 72.9 % 20583752
NPT2 Others Unspecified Inhibition = 9.2 % 17243726
NPT1 Others Radical scavenging activity Activity = 25.7 % 10395485
NPT2 Others Unspecified Inhibition = -9.8 % 19035792
NPT1 Others Radical scavenging activity Activity = 89.1 % 22584254

  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 NPC473875 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
0.9483 High Similarity NPC475529
0.9386 High Similarity NPC290470
0.9386 High Similarity NPC154256
0.9244 High Similarity NPC474130
0.9224 High Similarity NPC283616
0.916 High Similarity NPC204535
0.916 High Similarity NPC46586
0.9068 High Similarity NPC232295
0.8983 High Similarity NPC32152
0.8952 High Similarity NPC97326
0.8908 High Similarity NPC474131
0.8729 High Similarity NPC69539
0.872 High Similarity NPC40377
0.8707 High Similarity NPC474920
0.8678 High Similarity NPC96423
0.8667 High Similarity NPC51341
0.8655 High Similarity NPC187993
0.8655 High Similarity NPC238176
0.8644 High Similarity NPC301321
0.8644 High Similarity NPC473718
0.8629 High Similarity NPC476254
0.8629 High Similarity NPC131397
0.8615 High Similarity NPC475628
0.8609 High Similarity NPC473524
0.8596 High Similarity NPC194034
0.8596 High Similarity NPC233320
0.8571 High Similarity NPC19694
0.8522 High Similarity NPC241549
0.8512 High Similarity NPC471449
0.8504 High Similarity NPC158477
0.848 Intermediate Similarity NPC167571
0.848 Intermediate Similarity NPC207179
0.848 Intermediate Similarity NPC278552
0.8473 Intermediate Similarity NPC472334
0.8473 Intermediate Similarity NPC472336
0.8462 Intermediate Similarity NPC275627
0.845 Intermediate Similarity NPC78770
0.845 Intermediate Similarity NPC61477
0.845 Intermediate Similarity NPC15658
0.845 Intermediate Similarity NPC126029
0.845 Intermediate Similarity NPC261619
0.845 Intermediate Similarity NPC219876
0.845 Intermediate Similarity NPC185604
0.8438 Intermediate Similarity NPC220935
0.8438 Intermediate Similarity NPC11089
0.8438 Intermediate Similarity NPC475880
0.8425 Intermediate Similarity NPC222572
0.8425 Intermediate Similarity NPC87224
0.8425 Intermediate Similarity NPC38604
0.8425 Intermediate Similarity NPC211179
0.8425 Intermediate Similarity NPC63179
0.8413 Intermediate Similarity NPC58607
0.8413 Intermediate Similarity NPC191037
0.8413 Intermediate Similarity NPC178284
0.8409 Intermediate Similarity NPC107551
0.8409 Intermediate Similarity NPC102904
0.8409 Intermediate Similarity NPC474282
0.8409 Intermediate Similarity NPC176051
0.8409 Intermediate Similarity NPC326797
0.8409 Intermediate Similarity NPC103976
0.8403 Intermediate Similarity NPC470837
0.8403 Intermediate Similarity NPC161696
0.84 Intermediate Similarity NPC94276
0.84 Intermediate Similarity NPC293701
0.84 Intermediate Similarity NPC114901
0.84 Intermediate Similarity NPC109822
0.84 Intermediate Similarity NPC48990
0.84 Intermediate Similarity NPC276962
0.84 Intermediate Similarity NPC190086
0.84 Intermediate Similarity NPC147896
0.8397 Intermediate Similarity NPC151224
0.8397 Intermediate Similarity NPC164787
0.8397 Intermediate Similarity NPC134968
0.8397 Intermediate Similarity NPC472337
0.8397 Intermediate Similarity NPC61946
0.8387 Intermediate Similarity NPC120638
0.8374 Intermediate Similarity NPC45663
0.8372 Intermediate Similarity NPC220825
0.8372 Intermediate Similarity NPC268342
0.8372 Intermediate Similarity NPC268266
0.8372 Intermediate Similarity NPC103799
0.8372 Intermediate Similarity NPC42760
0.8361 Intermediate Similarity NPC320987
0.8361 Intermediate Similarity NPC181969
0.8359 Intermediate Similarity NPC86030
0.8359 Intermediate Similarity NPC472796
0.8359 Intermediate Similarity NPC59654
0.8359 Intermediate Similarity NPC472795
0.8359 Intermediate Similarity NPC271832
0.8359 Intermediate Similarity NPC472797
0.8359 Intermediate Similarity NPC5851
0.8358 Intermediate Similarity NPC471389
0.8346 Intermediate Similarity NPC147821
0.8346 Intermediate Similarity NPC471388
0.8346 Intermediate Similarity NPC319625
0.8346 Intermediate Similarity NPC118787
0.8346 Intermediate Similarity NPC183181
0.8346 Intermediate Similarity NPC111247
0.8346 Intermediate Similarity NPC469386
0.8346 Intermediate Similarity NPC163332
0.8346 Intermediate Similarity NPC292056
0.8346 Intermediate Similarity NPC50368
0.8346 Intermediate Similarity NPC41706
0.8333 Intermediate Similarity NPC302701
0.8333 Intermediate Similarity NPC230734
0.8333 Intermediate Similarity NPC476698
0.8333 Intermediate Similarity NPC269091
0.8333 Intermediate Similarity NPC474639
0.8333 Intermediate Similarity NPC306441
0.8333 Intermediate Similarity NPC16435
0.8333 Intermediate Similarity NPC194519
0.8333 Intermediate Similarity NPC227503
0.8321 Intermediate Similarity NPC106215
0.8321 Intermediate Similarity NPC478085
0.832 Intermediate Similarity NPC261992
0.8308 Intermediate Similarity NPC51262
0.8306 Intermediate Similarity NPC470804
0.8306 Intermediate Similarity NPC226712
0.8306 Intermediate Similarity NPC476343
0.8306 Intermediate Similarity NPC48623
0.8306 Intermediate Similarity NPC127389
0.8306 Intermediate Similarity NPC290451
0.8306 Intermediate Similarity NPC212965
0.8306 Intermediate Similarity NPC168707
0.8306 Intermediate Similarity NPC476165
0.8305 Intermediate Similarity NPC195873
0.8295 Intermediate Similarity NPC262606
0.8293 Intermediate Similarity NPC177475
0.8293 Intermediate Similarity NPC148615
0.8293 Intermediate Similarity NPC35071
0.8281 Intermediate Similarity NPC72529
0.8281 Intermediate Similarity NPC474178
0.8281 Intermediate Similarity NPC252307
0.8281 Intermediate Similarity NPC245826
0.8279 Intermediate Similarity NPC255675
0.8279 Intermediate Similarity NPC329980
0.8276 Intermediate Similarity NPC251306
0.8271 Intermediate Similarity NPC276490
0.8271 Intermediate Similarity NPC134260
0.8268 Intermediate Similarity NPC476006
0.8264 Intermediate Similarity NPC221049
0.8258 Intermediate Similarity NPC475029
0.8258 Intermediate Similarity NPC112246
0.8258 Intermediate Similarity NPC121812
0.8258 Intermediate Similarity NPC470356
0.8258 Intermediate Similarity NPC234333
0.8258 Intermediate Similarity NPC47398
0.8258 Intermediate Similarity NPC260898
0.8258 Intermediate Similarity NPC112939
0.8258 Intermediate Similarity NPC195022
0.8258 Intermediate Similarity NPC476018
0.8258 Intermediate Similarity NPC94750
0.8258 Intermediate Similarity NPC474206
0.8254 Intermediate Similarity NPC248557
0.8254 Intermediate Similarity NPC61685
0.8244 Intermediate Similarity NPC475840
0.8244 Intermediate Similarity NPC11060
0.8244 Intermediate Similarity NPC211352
0.8244 Intermediate Similarity NPC263064
0.824 Intermediate Similarity NPC209567
0.824 Intermediate Similarity NPC135414
0.824 Intermediate Similarity NPC71090
0.824 Intermediate Similarity NPC188997
0.8235 Intermediate Similarity NPC98372
0.8231 Intermediate Similarity NPC166168
0.8231 Intermediate Similarity NPC474143
0.8231 Intermediate Similarity NPC82503
0.8231 Intermediate Similarity NPC162801
0.8231 Intermediate Similarity NPC153019
0.8231 Intermediate Similarity NPC474246
0.823 Intermediate Similarity NPC130103
0.8226 Intermediate Similarity NPC218753
0.822 Intermediate Similarity NPC46844
0.8211 Intermediate Similarity NPC163036
0.8211 Intermediate Similarity NPC135961
0.8209 Intermediate Similarity NPC292882
0.8209 Intermediate Similarity NPC245207
0.8209 Intermediate Similarity NPC472151
0.8209 Intermediate Similarity NPC319647
0.8209 Intermediate Similarity NPC25966
0.8209 Intermediate Similarity NPC127218
0.8203 Intermediate Similarity NPC473993
0.8203 Intermediate Similarity NPC216836
0.8197 Intermediate Similarity NPC164386
0.8195 Intermediate Similarity NPC54743
0.8195 Intermediate Similarity NPC126101
0.8195 Intermediate Similarity NPC10737
0.8195 Intermediate Similarity NPC327735
0.8195 Intermediate Similarity NPC263367
0.8195 Intermediate Similarity NPC173660
0.8195 Intermediate Similarity NPC177160
0.8195 Intermediate Similarity NPC209985
0.8195 Intermediate Similarity NPC104167
0.8195 Intermediate Similarity NPC472800
0.8195 Intermediate Similarity NPC470802
0.8195 Intermediate Similarity NPC477939
0.8195 Intermediate Similarity NPC29799
0.8195 Intermediate Similarity NPC156502
0.8189 Intermediate Similarity NPC81641
0.8189 Intermediate Similarity NPC12308

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC473875 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
0.8966 High Similarity NPD6671 Approved
0.8596 High Similarity NPD290 Approved
0.8492 Intermediate Similarity NPD2861 Phase 2
0.845 Intermediate Similarity NPD1612 Clinical (unspecified phase)
0.845 Intermediate Similarity NPD1613 Approved
0.8348 Intermediate Similarity NPD968 Approved
0.8306 Intermediate Similarity NPD1091 Approved
0.8205 Intermediate Similarity NPD2684 Approved
0.814 Intermediate Similarity NPD1529 Clinical (unspecified phase)
0.8062 Intermediate Similarity NPD1530 Clinical (unspecified phase)
0.8031 Intermediate Similarity NPD4749 Approved
0.8017 Intermediate Similarity NPD1398 Phase 1
0.8016 Intermediate Similarity NPD1610 Phase 2
0.8015 Intermediate Similarity NPD6410 Clinical (unspecified phase)
0.8 Intermediate Similarity NPD228 Approved
0.7969 Intermediate Similarity NPD6696 Suspended
0.7939 Intermediate Similarity NPD3027 Phase 3
0.7937 Intermediate Similarity NPD3496 Discontinued
0.7934 Intermediate Similarity NPD7843 Approved
0.7886 Intermediate Similarity NPD7157 Approved
0.784 Intermediate Similarity NPD1548 Phase 1
0.7823 Intermediate Similarity NPD7340 Approved
0.7803 Intermediate Similarity NPD4625 Phase 3
0.7761 Intermediate Similarity NPD4060 Phase 1
0.7759 Intermediate Similarity NPD289 Clinical (unspecified phase)
0.7727 Intermediate Similarity NPD4908 Phase 1
0.7698 Intermediate Similarity NPD5698 Clinical (unspecified phase)
0.7692 Intermediate Similarity NPD8651 Approved
0.7681 Intermediate Similarity NPD5762 Approved
0.7681 Intermediate Similarity NPD5763 Approved
0.7674 Intermediate Similarity NPD2231 Phase 2
0.7674 Intermediate Similarity NPD2235 Phase 2
0.7612 Intermediate Similarity NPD4907 Clinical (unspecified phase)
0.7591 Intermediate Similarity NPD4536 Approved
0.7591 Intermediate Similarity NPD4537 Clinical (unspecified phase)
0.7591 Intermediate Similarity NPD4538 Approved
0.7578 Intermediate Similarity NPD1778 Approved
0.7522 Intermediate Similarity NPD9365 Approved
0.7517 Intermediate Similarity NPD1653 Approved
0.75 Intermediate Similarity NPD2238 Phase 2
0.75 Intermediate Similarity NPD2424 Discontinued
0.7465 Intermediate Similarity NPD2677 Approved
0.7463 Intermediate Similarity NPD596 Approved
0.7463 Intermediate Similarity NPD600 Approved
0.7462 Intermediate Similarity NPD422 Phase 1
0.7462 Intermediate Similarity NPD1611 Approved
0.7445 Intermediate Similarity NPD5735 Approved
0.7444 Intermediate Similarity NPD6917 Clinical (unspecified phase)
0.7444 Intermediate Similarity NPD6584 Phase 3
0.7442 Intermediate Similarity NPD6516 Phase 2
0.7442 Intermediate Similarity NPD5846 Approved
0.7414 Intermediate Similarity NPD844 Approved
0.741 Intermediate Similarity NPD5588 Approved
0.741 Intermediate Similarity NPD5960 Phase 3
0.7405 Intermediate Similarity NPD2230 Approved
0.7405 Intermediate Similarity NPD2232 Approved
0.7405 Intermediate Similarity NPD2233 Approved
0.7405 Intermediate Similarity NPD1608 Approved
0.7395 Intermediate Similarity NPD291 Approved
0.7391 Intermediate Similarity NPD6653 Approved
0.7372 Intermediate Similarity NPD1558 Phase 1
0.7368 Intermediate Similarity NPD1794 Approved
0.7364 Intermediate Similarity NPD1357 Approved
0.7361 Intermediate Similarity NPD1774 Approved
0.736 Intermediate Similarity NPD821 Approved
0.7357 Intermediate Similarity NPD6032 Approved
0.7353 Intermediate Similarity NPD7985 Registered
0.7353 Intermediate Similarity NPD6798 Discontinued
0.735 Intermediate Similarity NPD288 Approved
0.7348 Intermediate Similarity NPD3600 Clinical (unspecified phase)
0.7345 Intermediate Similarity NPD9295 Approved
0.7324 Intermediate Similarity NPD1652 Phase 2
0.7319 Intermediate Similarity NPD6355 Discontinued
0.7315 Intermediate Similarity NPD1934 Approved
0.7302 Intermediate Similarity NPD5283 Phase 1
0.7299 Intermediate Similarity NPD840 Approved
0.7299 Intermediate Similarity NPD839 Approved
0.7299 Intermediate Similarity NPD6233 Phase 2
0.7292 Intermediate Similarity NPD5058 Phase 3
0.7286 Intermediate Similarity NPD2156 Approved
0.7286 Intermediate Similarity NPD7033 Discontinued
0.7286 Intermediate Similarity NPD2155 Approved
0.7286 Intermediate Similarity NPD2154 Approved
0.7279 Intermediate Similarity NPD7095 Approved
0.7259 Intermediate Similarity NPD1712 Approved
0.7246 Intermediate Similarity NPD3620 Phase 2
0.7246 Intermediate Similarity NPD3597 Clinical (unspecified phase)
0.7246 Intermediate Similarity NPD3619 Clinical (unspecified phase)
0.7234 Intermediate Similarity NPD6099 Approved
0.7234 Intermediate Similarity NPD6100 Approved
0.7218 Intermediate Similarity NPD6583 Phase 3
0.7218 Intermediate Similarity NPD6582 Phase 2
0.7214 Intermediate Similarity NPD7097 Phase 1
0.7203 Intermediate Similarity NPD5177 Phase 3
0.7203 Intermediate Similarity NPD6674 Discontinued
0.7197 Intermediate Similarity NPD776 Approved
0.7197 Intermediate Similarity NPD1535 Discovery
0.7194 Intermediate Similarity NPD5124 Phase 1
0.7194 Intermediate Similarity NPD5123 Clinical (unspecified phase)
0.7192 Intermediate Similarity NPD1754 Clinical (unspecified phase)
0.7188 Intermediate Similarity NPD709 Approved
0.7188 Intermediate Similarity NPD2557 Approved
0.7185 Intermediate Similarity NPD3691 Phase 2
0.7185 Intermediate Similarity NPD3690 Phase 2
0.7185 Intermediate Similarity NPD558 Phase 2
0.7176 Intermediate Similarity NPD4626 Approved
0.7176 Intermediate Similarity NPD17 Approved
0.7174 Intermediate Similarity NPD3162 Approved
0.7174 Intermediate Similarity NPD3163 Approved
0.7172 Intermediate Similarity NPD3122 Phase 3
0.7154 Intermediate Similarity NPD1182 Approved
0.7153 Intermediate Similarity NPD4628 Phase 3
0.7152 Intermediate Similarity NPD5929 Approved
0.7152 Intermediate Similarity NPD2393 Clinical (unspecified phase)
0.7143 Intermediate Similarity NPD1481 Phase 2
0.7132 Intermediate Similarity NPD2237 Approved
0.7122 Intermediate Similarity NPD5837 Clinical (unspecified phase)
0.7122 Intermediate Similarity NPD4140 Approved
0.712 Intermediate Similarity NPD4750 Phase 3
0.7111 Intermediate Similarity NPD987 Approved
0.7111 Intermediate Similarity NPD1817 Approved
0.7111 Intermediate Similarity NPD1820 Approved
0.7111 Intermediate Similarity NPD1819 Approved
0.7111 Intermediate Similarity NPD1818 Approved
0.7107 Intermediate Similarity NPD846 Approved
0.7107 Intermediate Similarity NPD940 Approved
0.7101 Intermediate Similarity NPD1336 Approved
0.7099 Intermediate Similarity NPD5585 Approved
0.7099 Intermediate Similarity NPD3443 Approved
0.7099 Intermediate Similarity NPD5691 Approved
0.7099 Intermediate Similarity NPD3444 Approved
0.7099 Intermediate Similarity NPD3445 Approved
0.709 Intermediate Similarity NPD3685 Discontinued
0.709 Intermediate Similarity NPD4379 Clinical (unspecified phase)
0.709 Intermediate Similarity NPD5327 Phase 3
0.7087 Intermediate Similarity NPD7635 Approved
0.7083 Intermediate Similarity NPD5061 Approved
0.7083 Intermediate Similarity NPD5062 Approved
0.7077 Intermediate Similarity NPD7644 Approved
0.7075 Intermediate Similarity NPD7004 Clinical (unspecified phase)
0.7073 Intermediate Similarity NPD9697 Approved
0.7068 Intermediate Similarity NPD3705 Approved
0.7068 Intermediate Similarity NPD1547 Clinical (unspecified phase)
0.7063 Intermediate Similarity NPD6004 Phase 3
0.7063 Intermediate Similarity NPD6005 Phase 3
0.7063 Intermediate Similarity NPD6003 Clinical (unspecified phase)
0.7063 Intermediate Similarity NPD1375 Discontinued
0.7063 Intermediate Similarity NPD6006 Clinical (unspecified phase)
0.7063 Intermediate Similarity NPD2029 Clinical (unspecified phase)
0.7063 Intermediate Similarity NPD6002 Phase 3
0.7063 Intermediate Similarity NPD1550 Clinical (unspecified phase)
0.7063 Intermediate Similarity NPD1552 Clinical (unspecified phase)
0.7039 Intermediate Similarity NPD2801 Approved
0.7034 Intermediate Similarity NPD9296 Approved
0.7034 Intermediate Similarity NPD6398 Clinical (unspecified phase)
0.7034 Intermediate Similarity NPD7982 Clinical (unspecified phase)
0.7034 Intermediate Similarity NPD4535 Phase 3
0.7031 Intermediate Similarity NPD1241 Discontinued
0.7029 Intermediate Similarity NPD3180 Approved
0.7029 Intermediate Similarity NPD3179 Approved
0.7027 Intermediate Similarity NPD2675 Approved
0.7027 Intermediate Similarity NPD2676 Approved
0.7021 Intermediate Similarity NPD3052 Approved
0.7021 Intermediate Similarity NPD3054 Approved
0.7021 Intermediate Similarity NPD6353 Approved
0.7015 Intermediate Similarity NPD1840 Phase 2
0.7014 Intermediate Similarity NPD1549 Phase 2
0.6993 Remote Similarity NPD5402 Approved
0.6993 Remote Similarity NPD2935 Discontinued
0.6985 Remote Similarity NPD4098 Discontinued
0.6985 Remote Similarity NPD2797 Approved
0.6984 Remote Similarity NPD3021 Approved
0.6984 Remote Similarity NPD3022 Approved
0.6978 Remote Similarity NPD6859 Clinical (unspecified phase)
0.6978 Remote Similarity NPD1048 Approved
0.6978 Remote Similarity NPD1699 Clinical (unspecified phase)
0.6975 Remote Similarity NPD2859 Approved
0.6975 Remote Similarity NPD2860 Approved
0.6972 Remote Similarity NPD696 Discontinued
0.697 Remote Similarity NPD3049 Approved
0.697 Remote Similarity NPD6382 Discontinued
0.6966 Remote Similarity NPD3060 Approved
0.6962 Remote Similarity NPD6166 Phase 2
0.6962 Remote Similarity NPD6167 Clinical (unspecified phase)
0.6962 Remote Similarity NPD6168 Clinical (unspecified phase)
0.696 Remote Similarity NPD1358 Approved
0.696 Remote Similarity NPD9552 Approved
0.6959 Remote Similarity NPD681 Clinical (unspecified phase)
0.6954 Remote Similarity NPD4380 Phase 2
0.6953 Remote Similarity NPD5535 Approved
0.695 Remote Similarity NPD447 Suspended
0.6949 Remote Similarity NPD845 Approved
0.6948 Remote Similarity NPD4868 Clinical (unspecified phase)
0.6944 Remote Similarity NPD7266 Discontinued
0.6942 Remote Similarity NPD3020 Approved
0.694 Remote Similarity NPD3092 Approved
0.6934 Remote Similarity NPD5647 Approved
0.6929 Remote Similarity NPD1423 Approved
0.6929 Remote Similarity NPD1726 Clinical (unspecified phase)
0.6929 Remote Similarity NPD7477 Discontinued

Structure

External Identifiers

PubChem CID   10535808
ChEMBL   CHEMBL454034
ZINC  

Physicochemical Properties

Molecular Weight:  194.09
ALogP:  -0.4686
MLogP:  2.34
XLogP:  1.431
# Rotatable Bonds:  4
Polar Surface Area:  49.69
# H-Bond Aceptor:  1
# H-Bond Donor:  2
# Rings:  2
# Heavy Atoms:  14

Download Data

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Structure MOL file  
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Biological Activities  
Similar NPs/Drugs