Natural Product: NPC106524

Natural Product ID:  NPC106524
Common Name:   Hypoxylonol D
IUPAC Name:  
Synonyms:   Hypoxylonol D
Molecular Formula:   C22H20O5
Standard InCHIKey:  DSVFBOXMAJTYHV-OAUYIBNBSA-N
Standard InCHI:  InChI=1S/C22H20O5/c1-2-27-17-9-16(26)22-18-11-4-3-5-13(23)19(11)15(25)8-12(18)10-6-7-14(24)21(17)20(10)22/h3-7,12,16-17,23-24,26H,2,8-9H2,1H3/t12-,16+,17-/m1/s1
Canonical SMILES:  CCO[C@@H]1C[C@H](O)C2=C3[C@@H](c4c2c1c(O)cc4)CC(=O)c1c3cccc1O
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
NPO30840 Hypoxylon truncatum Species Xylariaceae Eukaryota PMID[22148396]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT2 Others Unspecified IC50 = 6100 nM 17724159
NPT737 Cell Line HUVEC Homo sapiens IC50 = 6900 nM 18316140

  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 NPC106524 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 NPC290695
0.9929 High Similarity NPC162751
0.9929 High Similarity NPC52161
0.9504 High Similarity NPC91019
0.9504 High Similarity NPC106519
0.9128 High Similarity NPC477276
0.8816 High Similarity NPC478220
0.8792 High Similarity NPC470570
0.8725 High Similarity NPC34482
0.8662 High Similarity NPC18380
0.8658 High Similarity NPC21599
0.8658 High Similarity NPC48762
0.8658 High Similarity NPC193703
0.8654 High Similarity NPC186113
0.8654 High Similarity NPC195167
0.8636 High Similarity NPC478218
0.8627 High Similarity NPC470569
0.8618 High Similarity NPC329933
0.8608 High Similarity NPC478229
0.86 High Similarity NPC170055
0.8599 High Similarity NPC184326
0.8599 High Similarity NPC292863
0.8591 High Similarity NPC471731
0.8571 High Similarity NPC87708
0.8571 High Similarity NPC474534
0.8571 High Similarity NPC474533
0.8562 High Similarity NPC470568
0.8562 High Similarity NPC477914
0.8562 High Similarity NPC290954
0.8562 High Similarity NPC255641
0.8562 High Similarity NPC205766
0.8553 High Similarity NPC290160
0.8544 High Similarity NPC137232
0.8544 High Similarity NPC478222
0.8543 High Similarity NPC147250
0.8535 High Similarity NPC472617
0.8535 High Similarity NPC324736
0.8533 High Similarity NPC477913
0.8533 High Similarity NPC42540
0.8533 High Similarity NPC218866
0.8533 High Similarity NPC151607
0.8533 High Similarity NPC48130
0.8533 High Similarity NPC84568
0.8533 High Similarity NPC300684
0.8523 High Similarity NPC474961
0.8523 High Similarity NPC471733
0.8523 High Similarity NPC135524
0.8523 High Similarity NPC85310
0.8516 High Similarity NPC135522
0.8516 High Similarity NPC182921
0.8516 High Similarity NPC218870
0.8516 High Similarity NPC329844
0.8516 High Similarity NPC474824
0.8516 High Similarity NPC470408
0.8514 High Similarity NPC168471
0.8506 High Similarity NPC476553
0.8506 High Similarity NPC476552
0.8506 High Similarity NPC474417
0.8506 High Similarity NPC478148
0.8506 High Similarity NPC149526
0.8506 High Similarity NPC476551
0.8506 High Similarity NPC232645
0.8506 High Similarity NPC72958
0.8497 Intermediate Similarity NPC477221
0.8497 Intermediate Similarity NPC478219
0.8491 Intermediate Similarity NPC473961
0.8487 Intermediate Similarity NPC119767
0.8487 Intermediate Similarity NPC34802
0.8481 Intermediate Similarity NPC284495
0.8481 Intermediate Similarity NPC472618
0.8477 Intermediate Similarity NPC478019
0.8467 Intermediate Similarity NPC159721
0.8467 Intermediate Similarity NPC313047
0.8467 Intermediate Similarity NPC3732
0.8467 Intermediate Similarity NPC295712
0.8467 Intermediate Similarity NPC451542
0.8467 Intermediate Similarity NPC474203
0.8462 Intermediate Similarity NPC66508
0.8462 Intermediate Similarity NPC226656
0.8456 Intermediate Similarity NPC472604
0.8456 Intermediate Similarity NPC305845
0.8456 Intermediate Similarity NPC204045
0.8456 Intermediate Similarity NPC472603
0.8456 Intermediate Similarity NPC477275
0.8456 Intermediate Similarity NPC472605
0.8452 Intermediate Similarity NPC470337
0.8452 Intermediate Similarity NPC113608
0.8452 Intermediate Similarity NPC470338
0.8452 Intermediate Similarity NPC51824
0.8452 Intermediate Similarity NPC154683
0.8452 Intermediate Similarity NPC43345
0.8452 Intermediate Similarity NPC268992
0.8452 Intermediate Similarity NPC40356
0.8442 Intermediate Similarity NPC147735
0.8435 Intermediate Similarity NPC301915
0.8435 Intermediate Similarity NPC261292
0.8431 Intermediate Similarity NPC221352
0.8431 Intermediate Similarity NPC35150
0.8431 Intermediate Similarity NPC106328
0.8428 Intermediate Similarity NPC312273
0.8428 Intermediate Similarity NPC301256
0.8421 Intermediate Similarity NPC285122
0.8421 Intermediate Similarity NPC472134
0.8414 Intermediate Similarity NPC314048
0.8408 Intermediate Similarity NPC474861
0.8408 Intermediate Similarity NPC478223
0.8403 Intermediate Similarity NPC72669
0.8403 Intermediate Similarity NPC474517
0.84 Intermediate Similarity NPC232021
0.84 Intermediate Similarity NPC126534
0.84 Intermediate Similarity NPC40118
0.84 Intermediate Similarity NPC469520
0.8397 Intermediate Similarity NPC210942
0.8397 Intermediate Similarity NPC169990
0.8397 Intermediate Similarity NPC470102
0.8397 Intermediate Similarity NPC474622
0.8397 Intermediate Similarity NPC474621
0.8389 Intermediate Similarity NPC472601
0.8389 Intermediate Similarity NPC155205
0.8389 Intermediate Similarity NPC181560
0.8389 Intermediate Similarity NPC169452
0.8389 Intermediate Similarity NPC472600
0.8387 Intermediate Similarity NPC258249
0.8387 Intermediate Similarity NPC178484
0.8385 Intermediate Similarity NPC478022
0.8385 Intermediate Similarity NPC469664
0.8385 Intermediate Similarity NPC478020
0.8378 Intermediate Similarity NPC94248
0.8378 Intermediate Similarity NPC478200
0.8378 Intermediate Similarity NPC212693
0.8378 Intermediate Similarity NPC191835
0.8378 Intermediate Similarity NPC33144
0.8377 Intermediate Similarity NPC97028
0.8377 Intermediate Similarity NPC100985
0.8377 Intermediate Similarity NPC158338
0.8377 Intermediate Similarity NPC97029
0.8377 Intermediate Similarity NPC473016
0.8377 Intermediate Similarity NPC288036
0.8377 Intermediate Similarity NPC65589
0.8375 Intermediate Similarity NPC473012
0.8375 Intermediate Similarity NPC15374
0.8375 Intermediate Similarity NPC315772
0.8367 Intermediate Similarity NPC291454
0.8367 Intermediate Similarity NPC191976
0.8366 Intermediate Similarity NPC71055
0.8366 Intermediate Similarity NPC312929
0.8366 Intermediate Similarity NPC289042
0.8366 Intermediate Similarity NPC56433
0.8366 Intermediate Similarity NPC215593
0.8366 Intermediate Similarity NPC118027
0.8366 Intermediate Similarity NPC190648
0.8366 Intermediate Similarity NPC472135
0.8366 Intermediate Similarity NPC261271
0.8366 Intermediate Similarity NPC245584
0.8366 Intermediate Similarity NPC290194
0.8366 Intermediate Similarity NPC475348
0.8366 Intermediate Similarity NPC126767
0.8366 Intermediate Similarity NPC471734
0.8365 Intermediate Similarity NPC470810
0.8356 Intermediate Similarity NPC161964
0.8356 Intermediate Similarity NPC472262
0.8356 Intermediate Similarity NPC287604
0.8355 Intermediate Similarity NPC271288
0.8354 Intermediate Similarity NPC272196
0.8354 Intermediate Similarity NPC208258
0.8354 Intermediate Similarity NPC257166
0.8354 Intermediate Similarity NPC475184
0.8345 Intermediate Similarity NPC165612
0.8344 Intermediate Similarity NPC478133
0.8344 Intermediate Similarity NPC293545
0.8344 Intermediate Similarity NPC84266
0.8344 Intermediate Similarity NPC37253
0.8344 Intermediate Similarity NPC297600
0.8344 Intermediate Similarity NPC300307
0.8344 Intermediate Similarity NPC192219
0.8344 Intermediate Similarity NPC174905
0.8344 Intermediate Similarity NPC174599
0.8344 Intermediate Similarity NPC476473
0.8344 Intermediate Similarity NPC478202
0.8344 Intermediate Similarity NPC82190
0.8344 Intermediate Similarity NPC68727
0.8344 Intermediate Similarity NPC79375
0.8344 Intermediate Similarity NPC66029
0.8333 Intermediate Similarity NPC313123
0.8333 Intermediate Similarity NPC474843
0.8333 Intermediate Similarity NPC130485
0.8333 Intermediate Similarity NPC478217
0.8333 Intermediate Similarity NPC470340
0.8333 Intermediate Similarity NPC265178
0.8333 Intermediate Similarity NPC53649
0.8333 Intermediate Similarity NPC158634
0.8333 Intermediate Similarity NPC180944
0.8323 Intermediate Similarity NPC473009
0.8323 Intermediate Similarity NPC37348
0.8323 Intermediate Similarity NPC476505
0.8323 Intermediate Similarity NPC472633
0.8323 Intermediate Similarity NPC476295
0.8323 Intermediate Similarity NPC202595
0.8322 Intermediate Similarity NPC242994
0.8322 Intermediate Similarity NPC88269

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC106524 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
0.8313 Intermediate Similarity NPD6959 Discontinued
0.8228 Intermediate Similarity NPD8443 Clinical (unspecified phase)
0.8188 Intermediate Similarity NPD5408 Approved
0.8188 Intermediate Similarity NPD5404 Approved
0.8188 Intermediate Similarity NPD5405 Approved
0.8188 Intermediate Similarity NPD5406 Approved
0.817 Intermediate Similarity NPD7390 Discontinued
0.8121 Intermediate Similarity NPD1509 Clinical (unspecified phase)
0.8089 Intermediate Similarity NPD4380 Phase 2
0.8085 Intermediate Similarity NPD1201 Approved
0.805 Intermediate Similarity NPD2393 Clinical (unspecified phase)
0.805 Intermediate Similarity NPD7819 Suspended
0.8 Intermediate Similarity NPD4378 Clinical (unspecified phase)
0.7986 Intermediate Similarity NPD1470 Approved
0.795 Intermediate Similarity NPD7768 Phase 2
0.7895 Intermediate Similarity NPD1552 Clinical (unspecified phase)
0.7895 Intermediate Similarity NPD1550 Clinical (unspecified phase)
0.7892 Intermediate Similarity NPD7473 Discontinued
0.7885 Intermediate Similarity NPD2532 Approved
0.7885 Intermediate Similarity NPD2534 Approved
0.7885 Intermediate Similarity NPD7410 Clinical (unspecified phase)
0.7885 Intermediate Similarity NPD7422 Clinical (unspecified phase)
0.7885 Intermediate Similarity NPD2533 Approved
0.7881 Intermediate Similarity NPD1510 Phase 2
0.7843 Intermediate Similarity NPD1549 Phase 2
0.7843 Intermediate Similarity NPD970 Clinical (unspecified phase)
0.7834 Intermediate Similarity NPD6273 Approved
0.7829 Intermediate Similarity NPD2935 Discontinued
0.7818 Intermediate Similarity NPD6232 Discontinued
0.7812 Intermediate Similarity NPD7411 Suspended
0.7799 Intermediate Similarity NPD5808 Clinical (unspecified phase)
0.7764 Intermediate Similarity NPD1934 Approved
0.7748 Intermediate Similarity NPD1607 Approved
0.7742 Intermediate Similarity NPD3750 Approved
0.7733 Intermediate Similarity NPD1240 Approved
0.7725 Intermediate Similarity NPD6168 Clinical (unspecified phase)
0.7725 Intermediate Similarity NPD7852 Clinical (unspecified phase)
0.7725 Intermediate Similarity NPD6167 Clinical (unspecified phase)
0.7725 Intermediate Similarity NPD6166 Phase 2
0.7718 Intermediate Similarity NPD3764 Approved
0.7712 Intermediate Similarity NPD2796 Approved
0.7697 Intermediate Similarity NPD5494 Approved
0.7692 Intermediate Similarity NPD5844 Phase 1
0.7688 Intermediate Similarity NPD3226 Approved
0.7683 Intermediate Similarity NPD7075 Discontinued
0.7674 Intermediate Similarity NPD8312 Approved
0.7674 Intermediate Similarity NPD8313 Approved
0.767 Intermediate Similarity NPD7879 Clinical (unspecified phase)
0.7661 Intermediate Similarity NPD6559 Discontinued
0.7644 Intermediate Similarity NPD8150 Discontinued
0.7628 Intermediate Similarity NPD7003 Approved
0.7607 Intermediate Similarity NPD7096 Clinical (unspecified phase)
0.7576 Intermediate Similarity NPD3749 Approved
0.7576 Intermediate Similarity NPD4381 Clinical (unspecified phase)
0.7569 Intermediate Similarity NPD3019 Approved
0.7564 Intermediate Similarity NPD7421 Clinical (unspecified phase)
0.7548 Intermediate Similarity NPD2346 Discontinued
0.7547 Intermediate Similarity NPD7004 Clinical (unspecified phase)
0.7546 Intermediate Similarity NPD6801 Discontinued
0.7532 Intermediate Similarity NPD2799 Discontinued
0.7515 Intermediate Similarity NPD3882 Suspended
0.75 Intermediate Similarity NPD2801 Approved
0.7486 Intermediate Similarity NPD6534 Approved
0.7486 Intermediate Similarity NPD6535 Approved
0.7485 Intermediate Similarity NPD7804 Clinical (unspecified phase)
0.7484 Intermediate Similarity NPD1511 Approved
0.7483 Intermediate Similarity NPD4907 Clinical (unspecified phase)
0.7458 Intermediate Similarity NPD8397 Clinical (unspecified phase)
0.7448 Intermediate Similarity NPD2932 Approved
0.7442 Intermediate Similarity NPD7074 Phase 3
0.7439 Intermediate Similarity NPD37 Approved
0.7434 Intermediate Similarity NPD6663 Approved
0.7427 Intermediate Similarity NPD3818 Discontinued
0.7419 Intermediate Similarity NPD3748 Approved
0.7414 Intermediate Similarity NPD4419 Clinical (unspecified phase)
0.741 Intermediate Similarity NPD4965 Approved
0.741 Intermediate Similarity NPD4966 Approved
0.741 Intermediate Similarity NPD4967 Phase 2
0.7405 Intermediate Similarity NPD8166 Discontinued
0.74 Intermediate Similarity NPD5736 Approved
0.7391 Intermediate Similarity NPD1512 Approved
0.7386 Intermediate Similarity NPD943 Approved
0.7384 Intermediate Similarity NPD7054 Approved
0.7377 Intermediate Similarity NPD6782 Approved
0.7377 Intermediate Similarity NPD6776 Approved
0.7377 Intermediate Similarity NPD6778 Approved
0.7377 Intermediate Similarity NPD6779 Approved
0.7377 Intermediate Similarity NPD6777 Approved
0.7377 Intermediate Similarity NPD6781 Approved
0.7377 Intermediate Similarity NPD6780 Approved
0.7372 Intermediate Similarity NPD1551 Phase 2
0.7363 Intermediate Similarity NPD7699 Phase 2
0.7363 Intermediate Similarity NPD7700 Phase 2
0.7362 Intermediate Similarity NPD7458 Discontinued
0.7351 Intermediate Similarity NPD4908 Phase 1
0.7349 Intermediate Similarity NPD5402 Approved
0.7346 Intermediate Similarity NPD5403 Approved
0.7342 Intermediate Similarity NPD2800 Approved
0.7341 Intermediate Similarity NPD7472 Approved
0.7333 Intermediate Similarity NPD2798 Approved
0.7321 Intermediate Similarity NPD6234 Discontinued
0.7317 Intermediate Similarity NPD6599 Discontinued
0.7315 Intermediate Similarity NPD1876 Approved
0.7312 Intermediate Similarity NPD8320 Phase 1
0.7312 Intermediate Similarity NPD8319 Approved
0.7305 Intermediate Similarity NPD4868 Clinical (unspecified phase)
0.7299 Intermediate Similarity NPD6797 Phase 2
0.7297 Intermediate Similarity NPD6823 Phase 2
0.7296 Intermediate Similarity NPD4628 Phase 3
0.7296 Intermediate Similarity NPD1878 Clinical (unspecified phase)
0.7294 Intermediate Similarity NPD5711 Approved
0.7294 Intermediate Similarity NPD5710 Approved
0.729 Intermediate Similarity NPD6651 Approved
0.7289 Intermediate Similarity NPD5761 Phase 2
0.7289 Intermediate Similarity NPD5760 Phase 2
0.7288 Intermediate Similarity NPD8055 Clinical (unspecified phase)
0.7267 Intermediate Similarity NPD1164 Approved
0.7267 Intermediate Similarity NPD6799 Approved
0.7261 Intermediate Similarity NPD6100 Approved
0.7261 Intermediate Similarity NPD6099 Approved
0.7258 Intermediate Similarity NPD7698 Approved
0.7258 Intermediate Similarity NPD7696 Phase 3
0.7258 Intermediate Similarity NPD7435 Discontinued
0.7258 Intermediate Similarity NPD7697 Approved
0.7257 Intermediate Similarity NPD7251 Discontinued
0.7246 Intermediate Similarity NPD3817 Phase 2
0.7238 Intermediate Similarity NPD6213 Phase 3
0.7238 Intermediate Similarity NPD6212 Phase 3
0.7238 Intermediate Similarity NPD6214 Clinical (unspecified phase)
0.7235 Intermediate Similarity NPD8127 Discontinued
0.7235 Intermediate Similarity NPD7199 Phase 2
0.7225 Intermediate Similarity NPD7228 Approved
0.7222 Intermediate Similarity NPD5401 Approved
0.7219 Intermediate Similarity NPD7870 Phase 2
0.7219 Intermediate Similarity NPD7871 Phase 2
0.7216 Intermediate Similarity NPD7808 Phase 3
0.7215 Intermediate Similarity NPD2344 Approved
0.7205 Intermediate Similarity NPD3300 Phase 2
0.7205 Intermediate Similarity NPD7236 Approved
0.72 Intermediate Similarity NPD1283 Approved
0.7197 Intermediate Similarity NPD3299 Clinical (unspecified phase)
0.7192 Intermediate Similarity NPD3091 Approved
0.719 Intermediate Similarity NPD4625 Phase 3
0.7188 Intermediate Similarity NPD6398 Clinical (unspecified phase)
0.7172 Intermediate Similarity NPD9493 Approved
0.7172 Intermediate Similarity NPD405 Clinical (unspecified phase)
0.7171 Intermediate Similarity NPD2861 Phase 2
0.7162 Intermediate Similarity NPD3023 Approved
0.7162 Intermediate Similarity NPD3026 Approved
0.7152 Intermediate Similarity NPD3094 Phase 2
0.7143 Intermediate Similarity NPD3024 Approved
0.7143 Intermediate Similarity NPD2313 Discontinued
0.7143 Intermediate Similarity NPD8438 Clinical (unspecified phase)
0.7143 Intermediate Similarity NPD3025 Approved
0.7143 Intermediate Similarity NPD1651 Approved
0.7126 Intermediate Similarity NPD7177 Discontinued
0.7119 Intermediate Similarity NPD4338 Clinical (unspecified phase)
0.7114 Intermediate Similarity NPD1547 Clinical (unspecified phase)
0.7114 Intermediate Similarity NPD3092 Approved
0.7105 Intermediate Similarity NPD7701 Phase 2
0.7104 Intermediate Similarity NPD4363 Phase 3
0.7104 Intermediate Similarity NPD4360 Phase 2
0.7102 Intermediate Similarity NPD7993 Clinical (unspecified phase)
0.7093 Intermediate Similarity NPD7229 Phase 3
0.7093 Intermediate Similarity NPD3787 Discontinued
0.7089 Intermediate Similarity NPD651 Clinical (unspecified phase)
0.7089 Intermediate Similarity NPD7033 Discontinued
0.7083 Intermediate Similarity NPD7801 Approved
0.7078 Intermediate Similarity NPD7008 Discontinued
0.7078 Intermediate Similarity NPD5952 Clinical (unspecified phase)
0.7075 Intermediate Similarity NPD9545 Approved
0.7075 Intermediate Similarity NPD7741 Discontinued
0.7068 Intermediate Similarity NPD8151 Discontinued
0.7052 Intermediate Similarity NPD7184 Clinical (unspecified phase)
0.7051 Intermediate Similarity NPD2979 Phase 3
0.7051 Intermediate Similarity NPD4060 Phase 1
0.7051 Intermediate Similarity NPD4140 Approved
0.7044 Intermediate Similarity NPD2438 Suspended
0.7039 Intermediate Similarity NPD2797 Approved
0.7039 Intermediate Similarity NPD1203 Approved
0.7037 Intermediate Similarity NPD2309 Approved
0.7037 Intermediate Similarity NPD6190 Approved
0.7032 Intermediate Similarity NPD3268 Approved
0.7032 Intermediate Similarity NPD6859 Clinical (unspecified phase)
0.7031 Intermediate Similarity NPD7875 Clinical (unspecified phase)
0.7031 Intermediate Similarity NPD7874 Approved
0.703 Intermediate Similarity NPD920 Approved
0.7029 Intermediate Similarity NPD3751 Discontinued
0.702 Intermediate Similarity NPD3600 Clinical (unspecified phase)
0.7019 Intermediate Similarity NPD1243 Approved
0.7019 Intermediate Similarity NPD5698 Clinical (unspecified phase)
0.7013 Intermediate Similarity NPD6832 Phase 2
0.7006 Intermediate Similarity NPD5123 Clinical (unspecified phase)
0.7006 Intermediate Similarity NPD230 Phase 1
0.7006 Intermediate Similarity NPD5124 Phase 1
0.7006 Intermediate Similarity NPD5953 Discontinued
0.7 Intermediate Similarity NPD6002 Phase 3
0.7 Intermediate Similarity NPD6003 Clinical (unspecified phase)
0.7 Intermediate Similarity NPD5762 Approved
0.7 Intermediate Similarity NPD7211 Clinical (unspecified phase)

Structure

External Identifiers

PubChem CID   57333866
ChEMBL   CHEMBL1950969
ZINC  

Physicochemical Properties

Molecular Weight:  364.13
ALogP:  -1.8544
MLogP:  3.33
XLogP:  1.364
# Rotatable Bonds:  6
Polar Surface Area:  86.99
# H-Bond Aceptor:  3
# H-Bond Donor:  3
# Rings:  5
# Heavy Atoms:  27

Download Data

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