Natural Product: NPC474635

Natural Product ID:  NPC474635
Common Name:   [3,4-Dihydroxy-2-(3,7,11,15-Tetramethylhexadecyl)Phenyl] Acetate
IUPAC Name:   [3,4-dihydroxy-2-(3,7,11,15-tetramethylhexadecyl)phenyl] acetate
Synonyms:  
Molecular Formula:   C28H48O4
Standard InCHIKey:  QUMFQHZIHBPZFC-UHFFFAOYSA-N
Standard InCHI:  InChI=1S/C28H48O4/c1-20(2)10-7-11-21(3)12-8-13-22(4)14-9-15-23(5)16-17-25-27(32-24(6)29)19-18-26(30)28(25)31/h18-23,30-31H,7-17H2,1-6H3
Canonical SMILES:  CC(CCCC(CCCC(C)C)C)CCCC(CCc1c(ccc(c1O)O)OC(=O)C)C
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
NPO27847 Suillus granulatus Species Suillaceae Eukaryota PMID[1294697]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT2 Others Unspecified IC50 = 4.5 ug/ml 14510600
NPT168 Cell Line P388 Mus musculus IC50 = 8.2 ug/ml 16252913
NPT91 Cell Line KB Homo sapiens IC50 = 6.3 ug/ml 20855744

  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 NPC474635 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
0.9762 High Similarity NPC142530
0.9609 High Similarity NPC474810
0.9462 High Similarity NPC252095
0.9453 High Similarity NPC147317
0.9219 High Similarity NPC474636
0.9173 High Similarity NPC476171
0.9173 High Similarity NPC105493
0.9077 High Similarity NPC220935
0.9077 High Similarity NPC474617
0.9058 High Similarity NPC475896
0.9015 High Similarity NPC277021
0.8992 High Similarity NPC474670
0.8992 High Similarity NPC474821
0.8986 High Similarity NPC292256
0.8915 High Similarity NPC112596
0.8915 High Similarity NPC474632
0.8915 High Similarity NPC476006
0.8905 High Similarity NPC469564
0.8898 High Similarity NPC474864
0.8889 High Similarity NPC38874
0.8841 High Similarity NPC34245
0.8841 High Similarity NPC91492
0.8841 High Similarity NPC7439
0.8841 High Similarity NPC256555
0.8841 High Similarity NPC110067
0.8815 High Similarity NPC126682
0.8815 High Similarity NPC82271
0.8797 High Similarity NPC137949
0.8779 High Similarity NPC474616
0.876 High Similarity NPC140521
0.875 High Similarity NPC474886
0.875 High Similarity NPC20511
0.875 High Similarity NPC95162
0.875 High Similarity NPC52086
0.875 High Similarity NPC139548
0.875 High Similarity NPC76336
0.875 High Similarity NPC148835
0.8723 High Similarity NPC170239
0.8723 High Similarity NPC97937
0.8723 High Similarity NPC275125
0.8692 High Similarity NPC249836
0.8686 High Similarity NPC19869
0.8686 High Similarity NPC13067
0.8636 High Similarity NPC266691
0.8615 High Similarity NPC78446
0.8613 High Similarity NPC276490
0.8613 High Similarity NPC474540
0.8613 High Similarity NPC474521
0.8613 High Similarity NPC474530
0.8605 High Similarity NPC135414
0.8605 High Similarity NPC246967
0.8603 High Similarity NPC201357
0.8603 High Similarity NPC281521
0.8603 High Similarity NPC255147
0.8603 High Similarity NPC134968
0.8601 High Similarity NPC113790
0.8593 High Similarity NPC26673
0.8582 High Similarity NPC82503
0.8582 High Similarity NPC125617
0.8571 High Similarity NPC471498
0.8571 High Similarity NPC471503
0.8571 High Similarity NPC230157
0.8571 High Similarity NPC236419
0.8571 High Similarity NPC158477
0.8561 High Similarity NPC216836
0.8551 High Similarity NPC127218
0.8551 High Similarity NPC25966
0.8551 High Similarity NPC43500
0.8551 High Similarity NPC164148
0.8551 High Similarity NPC245207
0.8551 High Similarity NPC319647
0.854 High Similarity NPC472334
0.854 High Similarity NPC472336
0.8529 High Similarity NPC92830
0.8519 High Similarity NPC6451
0.8507 High Similarity NPC234488
0.8507 High Similarity NPC299221
0.8507 High Similarity NPC214860
0.8507 High Similarity NPC311680
0.8507 High Similarity NPC51840
0.85 High Similarity NPC472335
0.85 High Similarity NPC472332
0.8496 Intermediate Similarity NPC19694
0.8489 Intermediate Similarity NPC254759
0.8489 Intermediate Similarity NPC160283
0.8485 Intermediate Similarity NPC245060
0.8478 Intermediate Similarity NPC103976
0.8478 Intermediate Similarity NPC474282
0.8478 Intermediate Similarity NPC107551
0.8478 Intermediate Similarity NPC326797
0.8478 Intermediate Similarity NPC102904
0.8478 Intermediate Similarity NPC176051
0.8473 Intermediate Similarity NPC183446
0.8472 Intermediate Similarity NPC30688
0.8472 Intermediate Similarity NPC176903
0.8467 Intermediate Similarity NPC472337
0.8467 Intermediate Similarity NPC195022
0.8462 Intermediate Similarity NPC178129
0.8456 Intermediate Similarity NPC269528
0.8456 Intermediate Similarity NPC11060
0.8456 Intermediate Similarity NPC37196
0.8456 Intermediate Similarity NPC94236
0.8444 Intermediate Similarity NPC474356
0.8444 Intermediate Similarity NPC232275
0.8444 Intermediate Similarity NPC45715
0.8444 Intermediate Similarity NPC12275
0.8444 Intermediate Similarity NPC73738
0.844 Intermediate Similarity NPC138212
0.844 Intermediate Similarity NPC6568
0.8433 Intermediate Similarity NPC58164
0.8433 Intermediate Similarity NPC10225
0.8433 Intermediate Similarity NPC45824
0.8429 Intermediate Similarity NPC300611
0.8429 Intermediate Similarity NPC471389
0.8425 Intermediate Similarity NPC221085
0.8421 Intermediate Similarity NPC50368
0.8421 Intermediate Similarity NPC470699
0.8417 Intermediate Similarity NPC292882
0.8414 Intermediate Similarity NPC205727
0.8414 Intermediate Similarity NPC294522
0.8414 Intermediate Similarity NPC21184
0.8414 Intermediate Similarity NPC120426
0.8406 Intermediate Similarity NPC265433
0.8406 Intermediate Similarity NPC270456
0.8406 Intermediate Similarity NPC471719
0.8406 Intermediate Similarity NPC286843
0.8406 Intermediate Similarity NPC248727
0.8406 Intermediate Similarity NPC162659
0.8406 Intermediate Similarity NPC173660
0.8403 Intermediate Similarity NPC139839
0.8394 Intermediate Similarity NPC474600
0.8394 Intermediate Similarity NPC106215
0.8394 Intermediate Similarity NPC111635
0.8394 Intermediate Similarity NPC317380
0.8392 Intermediate Similarity NPC205361
0.8382 Intermediate Similarity NPC202762
0.8382 Intermediate Similarity NPC86655
0.8382 Intermediate Similarity NPC161203
0.8382 Intermediate Similarity NPC127624
0.8382 Intermediate Similarity NPC319969
0.838 Intermediate Similarity NPC185127
0.838 Intermediate Similarity NPC471763
0.8372 Intermediate Similarity NPC473290
0.8372 Intermediate Similarity NPC471504
0.837 Intermediate Similarity NPC224157
0.837 Intermediate Similarity NPC192687
0.8369 Intermediate Similarity NPC107161
0.8369 Intermediate Similarity NPC323126
0.8358 Intermediate Similarity NPC226331
0.8358 Intermediate Similarity NPC46274
0.8358 Intermediate Similarity NPC63179
0.8357 Intermediate Similarity NPC259519
0.8346 Intermediate Similarity NPC181361
0.8333 Intermediate Similarity NPC112246
0.8333 Intermediate Similarity NPC234865
0.8333 Intermediate Similarity NPC112939
0.8333 Intermediate Similarity NPC473413
0.8333 Intermediate Similarity NPC474206
0.8333 Intermediate Similarity NPC472521
0.8333 Intermediate Similarity NPC470356
0.8333 Intermediate Similarity NPC121812
0.8333 Intermediate Similarity NPC231149
0.8333 Intermediate Similarity NPC476347
0.8333 Intermediate Similarity NPC327382
0.8333 Intermediate Similarity NPC151224
0.8333 Intermediate Similarity NPC94750
0.8321 Intermediate Similarity NPC168059
0.8321 Intermediate Similarity NPC302211
0.8321 Intermediate Similarity NPC36437
0.8321 Intermediate Similarity NPC233018
0.8321 Intermediate Similarity NPC475840
0.8321 Intermediate Similarity NPC241341
0.8321 Intermediate Similarity NPC229442
0.8321 Intermediate Similarity NPC105554
0.8311 Intermediate Similarity NPC62903
0.8311 Intermediate Similarity NPC7178
0.8311 Intermediate Similarity NPC77430
0.831 Intermediate Similarity NPC472451
0.831 Intermediate Similarity NPC477616
0.8309 Intermediate Similarity NPC469907
0.8299 Intermediate Similarity NPC264875
0.8299 Intermediate Similarity NPC163598
0.8299 Intermediate Similarity NPC120774
0.8298 Intermediate Similarity NPC311530
0.8298 Intermediate Similarity NPC279851
0.8298 Intermediate Similarity NPC247291
0.8298 Intermediate Similarity NPC472520
0.8296 Intermediate Similarity NPC190144
0.8296 Intermediate Similarity NPC123127
0.8296 Intermediate Similarity NPC27239
0.8286 Intermediate Similarity NPC260741
0.8286 Intermediate Similarity NPC471388
0.8286 Intermediate Similarity NPC70682
0.8284 Intermediate Similarity NPC169474
0.8284 Intermediate Similarity NPC82679
0.8284 Intermediate Similarity NPC293054
0.8284 Intermediate Similarity NPC74817
0.8284 Intermediate Similarity NPC236791
0.8284 Intermediate Similarity NPC324112
0.8284 Intermediate Similarity NPC236760

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC474635 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
0.8358 Intermediate Similarity NPD1529 Clinical (unspecified phase)
0.8284 Intermediate Similarity NPD1530 Clinical (unspecified phase)
0.8116 Intermediate Similarity NPD1613 Approved
0.8116 Intermediate Similarity NPD1612 Clinical (unspecified phase)
0.8106 Intermediate Similarity NPD422 Phase 1
0.8095 Intermediate Similarity NPD1653 Approved
0.8029 Intermediate Similarity NPD3027 Phase 3
0.7985 Intermediate Similarity NPD4749 Approved
0.7984 Intermediate Similarity NPD6671 Approved
0.7895 Intermediate Similarity NPD3496 Discontinued
0.7862 Intermediate Similarity NPD6398 Clinical (unspecified phase)
0.7714 Intermediate Similarity NPD6859 Clinical (unspecified phase)
0.7714 Intermediate Similarity NPD6410 Clinical (unspecified phase)
0.7712 Intermediate Similarity NPD2801 Approved
0.7698 Intermediate Similarity NPD4908 Phase 1
0.7664 Intermediate Similarity NPD6696 Suspended
0.7643 Intermediate Similarity NPD4625 Phase 3
0.7613 Intermediate Similarity NPD4868 Clinical (unspecified phase)
0.7606 Intermediate Similarity NPD4060 Phase 1
0.7597 Intermediate Similarity NPD2393 Clinical (unspecified phase)
0.7589 Intermediate Similarity NPD4907 Clinical (unspecified phase)
0.7586 Intermediate Similarity NPD6099 Approved
0.7586 Intermediate Similarity NPD6100 Approved
0.7584 Intermediate Similarity NPD1511 Approved
0.7574 Intermediate Similarity NPD1610 Phase 2
0.7552 Intermediate Similarity NPD5123 Clinical (unspecified phase)
0.7552 Intermediate Similarity NPD447 Suspended
0.7552 Intermediate Similarity NPD5124 Phase 1
0.7532 Intermediate Similarity NPD1934 Approved
0.75 Intermediate Similarity NPD2861 Phase 2
0.7484 Intermediate Similarity NPD1465 Phase 2
0.7483 Intermediate Similarity NPD1512 Approved
0.7483 Intermediate Similarity NPD1940 Clinical (unspecified phase)
0.7482 Intermediate Similarity NPD2797 Approved
0.7445 Intermediate Similarity NPD1611 Approved
0.7432 Intermediate Similarity NPD1652 Phase 2
0.7431 Intermediate Similarity NPD230 Phase 1
0.7429 Intermediate Similarity NPD6917 Clinical (unspecified phase)
0.7426 Intermediate Similarity NPD1778 Approved
0.7415 Intermediate Similarity NPD5763 Approved
0.7415 Intermediate Similarity NPD5762 Approved
0.7407 Intermediate Similarity NPD1548 Phase 1
0.7405 Intermediate Similarity NPD228 Approved
0.7405 Intermediate Similarity NPD6234 Discontinued
0.7391 Intermediate Similarity NPD1608 Approved
0.7379 Intermediate Similarity NPD6653 Approved
0.7362 Intermediate Similarity NPD5844 Phase 1
0.7343 Intermediate Similarity NPD3268 Approved
0.7333 Intermediate Similarity NPD7644 Approved
0.7325 Intermediate Similarity NPD3817 Phase 2
0.7319 Intermediate Similarity NPD1091 Approved
0.7312 Intermediate Similarity NPD7199 Phase 2
0.7289 Intermediate Similarity NPD7549 Discontinued
0.7286 Intermediate Similarity NPD3225 Approved
0.7278 Intermediate Similarity NPD3882 Suspended
0.7273 Intermediate Similarity NPD7095 Approved
0.7267 Intermediate Similarity NPD3750 Approved
0.7259 Intermediate Similarity NPD7340 Approved
0.7254 Intermediate Similarity NPD3018 Phase 2
0.7254 Intermediate Similarity NPD2237 Approved
0.7252 Intermediate Similarity NPD4750 Phase 3
0.7248 Intermediate Similarity NPD970 Clinical (unspecified phase)
0.723 Intermediate Similarity NPD2935 Discontinued
0.7222 Intermediate Similarity NPD7985 Registered
0.7222 Intermediate Similarity NPD7184 Clinical (unspecified phase)
0.7222 Intermediate Similarity NPD1699 Clinical (unspecified phase)
0.7218 Intermediate Similarity NPD5535 Approved
0.7215 Intermediate Similarity NPD5402 Approved
0.7212 Intermediate Similarity NPD7074 Phase 3
0.7203 Intermediate Similarity NPD1008 Clinical (unspecified phase)
0.7197 Intermediate Similarity NPD37 Approved
0.7195 Intermediate Similarity NPD7228 Approved
0.7192 Intermediate Similarity NPD6355 Discontinued
0.7186 Intermediate Similarity NPD4338 Clinical (unspecified phase)
0.7181 Intermediate Similarity NPD6006 Clinical (unspecified phase)
0.7181 Intermediate Similarity NPD6002 Phase 3
0.7181 Intermediate Similarity NPD6003 Clinical (unspecified phase)
0.7181 Intermediate Similarity NPD7266 Discontinued
0.7181 Intermediate Similarity NPD6005 Phase 3
0.7181 Intermediate Similarity NPD6004 Phase 3
0.7178 Intermediate Similarity NPD6166 Phase 2
0.7178 Intermediate Similarity NPD6167 Clinical (unspecified phase)
0.7178 Intermediate Similarity NPD6168 Clinical (unspecified phase)
0.7174 Intermediate Similarity NPD4626 Approved
0.7174 Intermediate Similarity NPD17 Approved
0.717 Intermediate Similarity NPD4965 Approved
0.717 Intermediate Similarity NPD4966 Approved
0.717 Intermediate Similarity NPD4967 Phase 2
0.7152 Intermediate Similarity NPD7054 Approved
0.7143 Intermediate Similarity NPD9717 Approved
0.7134 Intermediate Similarity NPD7473 Discontinued
0.7134 Intermediate Similarity NPD7615 Clinical (unspecified phase)
0.7125 Intermediate Similarity NPD7075 Discontinued
0.7124 Intermediate Similarity NPD7837 Clinical (unspecified phase)
0.7121 Intermediate Similarity NPD3021 Approved
0.7121 Intermediate Similarity NPD3022 Approved
0.7114 Intermediate Similarity NPD1551 Phase 2
0.7109 Intermediate Similarity NPD940 Approved
0.7109 Intermediate Similarity NPD846 Approved
0.7108 Intermediate Similarity NPD7472 Approved
0.7103 Intermediate Similarity NPD1296 Phase 2
0.7099 Intermediate Similarity NPD290 Approved
0.7092 Intermediate Similarity NPD2982 Phase 2
0.7092 Intermediate Similarity NPD2983 Phase 2
0.7092 Intermediate Similarity NPD4379 Clinical (unspecified phase)
0.7091 Intermediate Similarity NPD3818 Discontinued
0.709 Intermediate Similarity NPD7843 Approved
0.7078 Intermediate Similarity NPD7004 Clinical (unspecified phase)
0.7078 Intermediate Similarity NPD4378 Clinical (unspecified phase)
0.7071 Intermediate Similarity NPD1535 Discovery
0.7066 Intermediate Similarity NPD7993 Clinical (unspecified phase)
0.7059 Intermediate Similarity NPD7157 Approved
0.7055 Intermediate Similarity NPD6232 Discontinued
0.7055 Intermediate Similarity NPD6233 Phase 2
0.7051 Intermediate Similarity NPD3686 Approved
0.7051 Intermediate Similarity NPD3687 Approved
0.7047 Intermediate Similarity NPD7033 Discontinued
0.7045 Intermediate Similarity NPD2684 Approved
0.7044 Intermediate Similarity NPD7096 Clinical (unspecified phase)
0.7044 Intermediate Similarity NPD7819 Suspended
0.7037 Intermediate Similarity NPD1398 Phase 1
0.7037 Intermediate Similarity NPD5283 Phase 1
0.7032 Intermediate Similarity NPD7314 Clinical (unspecified phase)
0.7024 Intermediate Similarity NPD7251 Discontinued
0.7023 Intermediate Similarity NPD968 Approved
0.7021 Intermediate Similarity NPD1481 Phase 2
0.7021 Intermediate Similarity NPD2981 Phase 2
0.7013 Intermediate Similarity NPD6799 Approved
0.7007 Intermediate Similarity NPD1558 Phase 1
0.7 Intermediate Similarity NPD6032 Approved
0.6993 Remote Similarity NPD3267 Approved
0.6993 Remote Similarity NPD1203 Approved
0.6993 Remote Similarity NPD3266 Approved
0.6986 Remote Similarity NPD6798 Discontinued
0.6986 Remote Similarity NPD411 Approved
0.6978 Remote Similarity NPD5585 Approved
0.6978 Remote Similarity NPD5691 Approved
0.6974 Remote Similarity NPD6674 Discontinued
0.6968 Remote Similarity NPD2534 Approved
0.6968 Remote Similarity NPD2532 Approved
0.6968 Remote Similarity NPD2533 Approved
0.6964 Remote Similarity NPD6797 Phase 2
0.6957 Remote Similarity NPD7768 Phase 2
0.6951 Remote Similarity NPD7229 Phase 3
0.695 Remote Similarity NPD3705 Approved
0.6948 Remote Similarity NPD6667 Approved
0.6948 Remote Similarity NPD6666 Approved
0.6947 Remote Similarity NPD9697 Approved
0.6943 Remote Similarity NPD2370 Clinical (unspecified phase)
0.6933 Remote Similarity NPD3748 Approved
0.6933 Remote Similarity NPD4308 Phase 3
0.6933 Remote Similarity NPD5494 Approved
0.6928 Remote Similarity NPD1878 Clinical (unspecified phase)
0.6928 Remote Similarity NPD4110 Phase 3
0.6928 Remote Similarity NPD3892 Phase 2
0.6928 Remote Similarity NPD4109 Clinical (unspecified phase)
0.6923 Remote Similarity NPD8651 Approved
0.6913 Remote Similarity NPD2653 Approved
0.6903 Remote Similarity NPD6143 Clinical (unspecified phase)
0.6901 Remote Similarity NPD9269 Phase 2
0.6899 Remote Similarity NPD3111 Phase 1
0.6899 Remote Similarity NPD289 Clinical (unspecified phase)
0.6892 Remote Similarity NPD4140 Approved
0.6883 Remote Similarity NPD2219 Phase 1
0.6883 Remote Similarity NPD6190 Approved
0.6882 Remote Similarity NPD7808 Phase 3
0.6879 Remote Similarity NPD5403 Approved
0.6875 Remote Similarity NPD6801 Discontinued
0.6875 Remote Similarity NPD6362 Approved
0.6875 Remote Similarity NPD987 Approved
0.6871 Remote Similarity NPD1048 Approved
0.6867 Remote Similarity NPD7097 Phase 1
0.6863 Remote Similarity NPD5698 Clinical (unspecified phase)
0.6859 Remote Similarity NPD7447 Phase 1
0.6855 Remote Similarity NPD6599 Discontinued
0.6853 Remote Similarity NPD3600 Clinical (unspecified phase)
0.6849 Remote Similarity NPD6832 Phase 2
0.6842 Remote Similarity NPD1550 Clinical (unspecified phase)
0.6842 Remote Similarity NPD1552 Clinical (unspecified phase)
0.6818 Remote Similarity NPD4628 Phase 3
0.6818 Remote Similarity NPD7982 Clinical (unspecified phase)
0.6815 Remote Similarity NPD2676 Approved
0.6815 Remote Similarity NPD2675 Approved
0.6813 Remote Similarity NPD7411 Suspended
0.681 Remote Similarity NPD3453 Discontinued
0.681 Remote Similarity NPD7975 Clinical (unspecified phase)
0.681 Remote Similarity NPD4381 Clinical (unspecified phase)
0.6797 Remote Similarity NPD1549 Phase 2
0.6792 Remote Similarity NPD3226 Approved
0.679 Remote Similarity NPD8443 Clinical (unspecified phase)
0.6788 Remote Similarity NPD8127 Discontinued
0.6779 Remote Similarity NPD943 Approved
0.6779 Remote Similarity NPD1240 Approved
0.6772 Remote Similarity NPD6980 Clinical (unspecified phase)
0.6768 Remote Similarity NPD919 Approved
0.6767 Remote Similarity NPD3134 Approved
0.6763 Remote Similarity NPD8055 Clinical (unspecified phase)
0.6755 Remote Similarity NPD6111 Discontinued
0.6753 Remote Similarity NPD2800 Approved
0.6753 Remote Similarity NPD7421 Clinical (unspecified phase)

Structure

External Identifiers

PubChem CID   10321456
ChEMBL   CHEMBL477743
ZINC  

Physicochemical Properties

Molecular Weight:  448.36
ALogP:  0.9589
MLogP:  4.1
XLogP:  11.755
# Rotatable Bonds:  25
Polar Surface Area:  66.76
# H-Bond Aceptor:  1
# H-Bond Donor:  2
# Rings:  1
# Heavy Atoms:  32

Download Data

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General Info & Identifiers & Properties  
Structure MOL file  
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Biological Activities  
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