Natural Product: NPC472006

Natural Product ID:  NPC472006
Common Name:   6-Oxolasiodiplodin
IUPAC Name:   (9R)-15-hydroxy-13-methoxy-9-methyl-10-oxabicyclo[10.4.0]hexadeca-1(12),13,15-triene-6,11-dione
Synonyms:  
Molecular Formula:   C17H22O5
Standard InCHIKey:  CNDODDJAXLVZBJ-LLVKDONJSA-N
Standard InCHI:  InChI=1S/C17H22O5/c1-11-7-8-13(18)6-4-3-5-12-9-14(19)10-15(21-2)16(12)17(20)22-11/h9-11,19H,3-8H2,1-2H3/t11-/m1/s1
Canonical SMILES:  COc1cc(O)cc2c1C(=O)O[C@H](C)CCC(=O)CCCC2
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
NPO32516 ficus auriculata Species Moraceae Eukaryota PMID[25008455]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT2 Others Unspecified Activity = 3.28 % 24387347
NPT2 Others Unspecified Activity = 2.87 % 19917748
NPT2 Others Unspecified Activity = -4.29 % 10869203

  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 NPC472006 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
0.9853 High Similarity NPC1704
0.9853 High Similarity NPC67650
0.9784 High Similarity NPC107625
0.971 High Similarity NPC51106
0.9643 High Similarity NPC472033
0.9638 High Similarity NPC474385
0.9632 High Similarity NPC191835
0.9571 High Similarity NPC472034
0.9568 High Similarity NPC469542
0.9565 High Similarity NPC475730
0.9559 High Similarity NPC70380
0.9559 High Similarity NPC135837
0.95 High Similarity NPC277426
0.95 High Similarity NPC86373
0.95 High Similarity NPC280404
0.95 High Similarity NPC210425
0.9496 High Similarity NPC469579
0.9489 High Similarity NPC478200
0.9489 High Similarity NPC33144
0.9489 High Similarity NPC94248
0.9489 High Similarity NPC212693
0.9437 High Similarity NPC472036
0.9437 High Similarity NPC210320
0.9424 High Similarity NPC90411
0.9424 High Similarity NPC478217
0.9424 High Similarity NPC313123
0.9412 High Similarity NPC182496
0.9412 High Similarity NPC180905
0.9375 High Similarity NPC469670
0.9375 High Similarity NPC469619
0.9371 High Similarity NPC240253
0.9371 High Similarity NPC471642
0.9371 High Similarity NPC73411
0.9371 High Similarity NPC240622
0.9371 High Similarity NPC471641
0.9371 High Similarity NPC215711
0.9357 High Similarity NPC250755
0.9348 High Similarity NPC472602
0.931 High Similarity NPC200773
0.931 High Similarity NPC70016
0.931 High Similarity NPC215921
0.931 High Similarity NPC240768
0.9306 High Similarity NPC4423
0.9306 High Similarity NPC77325
0.9296 High Similarity NPC134621
0.9296 High Similarity NPC312789
0.9291 High Similarity NPC478202
0.9286 High Similarity NPC478201
0.9286 High Similarity NPC472035
0.9286 High Similarity NPC472603
0.9286 High Similarity NPC53649
0.9286 High Similarity NPC158634
0.9281 High Similarity NPC105456
0.9281 High Similarity NPC32360
0.9281 High Similarity NPC139634
0.9281 High Similarity NPC268052
0.9275 High Similarity NPC178467
0.9275 High Similarity NPC71256
0.9275 High Similarity NPC474771
0.9275 High Similarity NPC474849
0.9275 High Similarity NPC149372
0.9275 High Similarity NPC65837
0.9265 High Similarity NPC153783
0.9252 High Similarity NPC79998
0.9252 High Similarity NPC99381
0.9236 High Similarity NPC2569
0.9236 High Similarity NPC153417
0.9236 High Similarity NPC172329
0.9231 High Similarity NPC237208
0.9225 High Similarity NPC95123
0.9225 High Similarity NPC66404
0.922 High Similarity NPC96692
0.922 High Similarity NPC49108
0.9214 High Similarity NPC158472
0.9214 High Similarity NPC165172
0.9214 High Similarity NPC472600
0.9214 High Similarity NPC472601
0.9209 High Similarity NPC475974
0.9203 High Similarity NPC235115
0.9189 High Similarity NPC472050
0.9172 High Similarity NPC476684
0.9172 High Similarity NPC270160
0.9172 High Similarity NPC237440
0.9167 High Similarity NPC8817
0.9167 High Similarity NPC14098
0.9161 High Similarity NPC75694
0.9161 High Similarity NPC83272
0.9161 High Similarity NPC29577
0.9161 High Similarity NPC473692
0.9155 High Similarity NPC471639
0.9155 High Similarity NPC159721
0.9155 High Similarity NPC471643
0.9149 High Similarity NPC472605
0.9149 High Similarity NPC472604
0.9149 High Similarity NPC244923
0.9137 High Similarity NPC194579
0.9122 High Similarity NPC82592
0.9122 High Similarity NPC16082
0.9118 High Similarity NPC219892
0.9118 High Similarity NPC189823
0.911 High Similarity NPC179178
0.911 High Similarity NPC60413
0.9097 High Similarity NPC470357
0.9097 High Similarity NPC163846
0.9097 High Similarity NPC225173
0.9091 High Similarity NPC210966
0.9091 High Similarity NPC126882
0.9091 High Similarity NPC42540
0.9091 High Similarity NPC478203
0.9091 High Similarity NPC470932
0.9091 High Similarity NPC184702
0.9091 High Similarity NPC151607
0.9085 High Similarity NPC297985
0.9085 High Similarity NPC471644
0.9085 High Similarity NPC105648
0.9085 High Similarity NPC471640
0.9071 High Similarity NPC472403
0.9071 High Similarity NPC9121
0.9071 High Similarity NPC177307
0.9067 High Similarity NPC470339
0.906 High Similarity NPC150227
0.9058 High Similarity NPC175943
0.9054 High Similarity NPC281477
0.9041 High Similarity NPC6923
0.9041 High Similarity NPC233267
0.9041 High Similarity NPC291049
0.9034 High Similarity NPC125801
0.9034 High Similarity NPC137296
0.9028 High Similarity NPC257558
0.9021 High Similarity NPC471731
0.9021 High Similarity NPC472610
0.9021 High Similarity NPC310340
0.9014 High Similarity NPC307990
0.9014 High Similarity NPC16455
0.9014 High Similarity NPC220106
0.9007 High Similarity NPC88269
0.9007 High Similarity NPC474655
0.9007 High Similarity NPC275356
0.9007 High Similarity NPC92655
0.9007 High Similarity NPC472055
0.9007 High Similarity NPC52358
0.9 High Similarity NPC470397
0.9 High Similarity NPC77679
0.9 High Similarity NPC84935
0.9 High Similarity NPC470398
0.9 High Similarity NPC190020
0.8993 High Similarity NPC199926
0.8993 High Similarity NPC236974
0.8993 High Similarity NPC27407
0.8993 High Similarity NPC144027
0.8986 High Similarity NPC167903
0.8986 High Similarity NPC474843
0.8986 High Similarity NPC203817
0.8986 High Similarity NPC273483
0.898 High Similarity NPC56204
0.898 High Similarity NPC470107
0.898 High Similarity NPC295036
0.898 High Similarity NPC96501
0.898 High Similarity NPC475460
0.898 High Similarity NPC158866
0.898 High Similarity NPC119929
0.898 High Similarity NPC470568
0.8973 High Similarity NPC37139
0.8973 High Similarity NPC105415
0.8966 High Similarity NPC267509
0.8966 High Similarity NPC260946
0.8966 High Similarity NPC473023
0.8951 High Similarity NPC471733
0.8944 High Similarity NPC155205
0.8929 High Similarity NPC242712
0.8929 High Similarity NPC84699
0.8929 High Similarity NPC158481
0.8929 High Similarity NPC50455
0.8926 High Similarity NPC472799
0.8919 High Similarity NPC470569
0.8919 High Similarity NPC132990
0.8919 High Similarity NPC133856
0.8919 High Similarity NPC46882
0.8919 High Similarity NPC232645
0.8919 High Similarity NPC72958
0.8913 High Similarity NPC476389
0.8912 High Similarity NPC198927
0.8904 High Similarity NPC12305
0.8897 High Similarity NPC316535
0.8897 High Similarity NPC293453
0.8897 High Similarity NPC32470
0.8889 High Similarity NPC215451
0.8889 High Similarity NPC354984
0.8889 High Similarity NPC84266
0.8889 High Similarity NPC73028
0.8889 High Similarity NPC277369
0.8881 High Similarity NPC37530
0.8881 High Similarity NPC275734
0.8874 High Similarity NPC263483
0.8874 High Similarity NPC246466
0.8874 High Similarity NPC473395
0.8873 High Similarity NPC57380
0.8873 High Similarity NPC247409
0.8873 High Similarity NPC470399
0.8873 High Similarity NPC472368

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC472006 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
0.9281 High Similarity NPD970 Clinical (unspecified phase)
0.9161 High Similarity NPD2534 Approved
0.9161 High Similarity NPD2532 Approved
0.9161 High Similarity NPD2533 Approved
0.88 High Similarity NPD7819 Suspended
0.8542 High Similarity NPD1550 Clinical (unspecified phase)
0.8542 High Similarity NPD1552 Clinical (unspecified phase)
0.8531 High Similarity NPD1510 Phase 2
0.8511 High Similarity NPD1240 Approved
0.8483 Intermediate Similarity NPD1549 Phase 2
0.8431 Intermediate Similarity NPD2393 Clinical (unspecified phase)
0.8408 Intermediate Similarity NPD6232 Discontinued
0.8392 Intermediate Similarity NPD1607 Approved
0.8389 Intermediate Similarity NPD4378 Clinical (unspecified phase)
0.8387 Intermediate Similarity NPD7075 Discontinued
0.8367 Intermediate Similarity NPD3750 Approved
0.8367 Intermediate Similarity NPD1878 Clinical (unspecified phase)
0.8366 Intermediate Similarity NPD1934 Approved
0.8365 Intermediate Similarity NPD7473 Discontinued
0.8345 Intermediate Similarity NPD2796 Approved
0.8344 Intermediate Similarity NPD6959 Discontinued
0.8322 Intermediate Similarity NPD6799 Approved
0.8312 Intermediate Similarity NPD7096 Clinical (unspecified phase)
0.8301 Intermediate Similarity NPD7411 Suspended
0.8291 Intermediate Similarity NPD5711 Approved
0.8291 Intermediate Similarity NPD5710 Approved
0.8269 Intermediate Similarity NPD3749 Approved
0.8258 Intermediate Similarity NPD8443 Clinical (unspecified phase)
0.8235 Intermediate Similarity NPD4380 Phase 2
0.8235 Intermediate Similarity NPD6599 Discontinued
0.8219 Intermediate Similarity NPD2935 Discontinued
0.8205 Intermediate Similarity NPD3882 Suspended
0.8205 Intermediate Similarity NPD4868 Clinical (unspecified phase)
0.8194 Intermediate Similarity NPD2801 Approved
0.8194 Intermediate Similarity NPD230 Phase 1
0.8176 Intermediate Similarity NPD2800 Approved
0.8141 Intermediate Similarity NPD3817 Phase 2
0.8129 Intermediate Similarity NPD6801 Discontinued
0.8112 Intermediate Similarity NPD6859 Clinical (unspecified phase)
0.8095 Intermediate Similarity NPD1551 Phase 2
0.8089 Intermediate Similarity NPD7768 Phase 2
0.8079 Intermediate Similarity NPD1511 Approved
0.8075 Intermediate Similarity NPD7852 Clinical (unspecified phase)
0.8038 Intermediate Similarity NPD4381 Clinical (unspecified phase)
0.8027 Intermediate Similarity NPD1509 Clinical (unspecified phase)
0.8027 Intermediate Similarity NPD3748 Approved
0.8026 Intermediate Similarity NPD7410 Clinical (unspecified phase)
0.8014 Intermediate Similarity NPD6651 Approved
0.7975 Intermediate Similarity NPD3818 Discontinued
0.7974 Intermediate Similarity NPD1512 Approved
0.7963 Intermediate Similarity NPD6168 Clinical (unspecified phase)
0.7963 Intermediate Similarity NPD6166 Phase 2
0.7963 Intermediate Similarity NPD6167 Clinical (unspecified phase)
0.7935 Intermediate Similarity NPD3226 Approved
0.7933 Intermediate Similarity NPD7421 Clinical (unspecified phase)
0.7933 Intermediate Similarity NPD1243 Approved
0.7927 Intermediate Similarity NPD5844 Phase 1
0.7922 Intermediate Similarity NPD920 Approved
0.7911 Intermediate Similarity NPD5402 Approved
0.7905 Intermediate Similarity NPD2799 Discontinued
0.7881 Intermediate Similarity NPD4628 Phase 3
0.7881 Intermediate Similarity NPD6398 Clinical (unspecified phase)
0.7879 Intermediate Similarity NPD7074 Phase 3
0.7852 Intermediate Similarity NPD6099 Approved
0.7852 Intermediate Similarity NPD6100 Approved
0.7848 Intermediate Similarity NPD1465 Phase 2
0.7844 Intermediate Similarity NPD4338 Clinical (unspecified phase)
0.7831 Intermediate Similarity NPD5953 Discontinued
0.7826 Intermediate Similarity NPD5494 Approved
0.7826 Intermediate Similarity NPD9545 Approved
0.7818 Intermediate Similarity NPD7054 Approved
0.7806 Intermediate Similarity NPD5403 Approved
0.7801 Intermediate Similarity NPD9717 Approved
0.78 Intermediate Similarity NPD2346 Discontinued
0.7792 Intermediate Similarity NPD642 Clinical (unspecified phase)
0.7785 Intermediate Similarity NPD651 Clinical (unspecified phase)
0.7778 Intermediate Similarity NPD643 Clinical (unspecified phase)
0.7771 Intermediate Similarity NPD7472 Approved
0.7755 Intermediate Similarity NPD943 Approved
0.7727 Intermediate Similarity NPD7390 Discontinued
0.7725 Intermediate Similarity NPD7993 Clinical (unspecified phase)
0.7725 Intermediate Similarity NPD6797 Phase 2
0.7711 Intermediate Similarity NPD7804 Clinical (unspecified phase)
0.7711 Intermediate Similarity NPD7286 Phase 2
0.7703 Intermediate Similarity NPD447 Suspended
0.7697 Intermediate Similarity NPD2654 Approved
0.7688 Intermediate Similarity NPD7879 Clinical (unspecified phase)
0.7682 Intermediate Similarity NPD2344 Approved
0.7681 Intermediate Similarity NPD9493 Approved
0.7679 Intermediate Similarity NPD6559 Discontinued
0.7679 Intermediate Similarity NPD7251 Discontinued
0.7677 Intermediate Similarity NPD5401 Approved
0.7673 Intermediate Similarity NPD37 Approved
0.7654 Intermediate Similarity NPD6234 Discontinued
0.7654 Intermediate Similarity NPD919 Approved
0.764 Intermediate Similarity NPD4967 Phase 2
0.764 Intermediate Similarity NPD4965 Approved
0.764 Intermediate Similarity NPD4966 Approved
0.7639 Intermediate Similarity NPD1203 Approved
0.7633 Intermediate Similarity NPD7808 Phase 3
0.7619 Intermediate Similarity NPD3764 Approved
0.7619 Intermediate Similarity NPD411 Approved
0.7606 Intermediate Similarity NPD422 Phase 1
0.7603 Intermediate Similarity NPD6832 Phase 2
0.7589 Intermediate Similarity NPD4626 Approved
0.758 Intermediate Similarity NPD6980 Clinical (unspecified phase)
0.7564 Intermediate Similarity NPD7004 Clinical (unspecified phase)
0.7552 Intermediate Similarity NPD1608 Approved
0.755 Intermediate Similarity NPD7033 Discontinued
0.7518 Intermediate Similarity NPD5691 Approved
0.7515 Intermediate Similarity NPD7229 Phase 3
0.75 Intermediate Similarity NPD1699 Clinical (unspecified phase)
0.75 Intermediate Similarity NPD5404 Approved
0.75 Intermediate Similarity NPD2313 Discontinued
0.75 Intermediate Similarity NPD5408 Approved
0.75 Intermediate Similarity NPD3268 Approved
0.75 Intermediate Similarity NPD5406 Approved
0.75 Intermediate Similarity NPD5405 Approved
0.7484 Intermediate Similarity NPD5808 Clinical (unspecified phase)
0.7484 Intermediate Similarity NPD2309 Approved
0.7471 Intermediate Similarity NPD8397 Clinical (unspecified phase)
0.747 Intermediate Similarity NPD3926 Phase 2
0.7467 Intermediate Similarity NPD1899 Clinical (unspecified phase)
0.7466 Intermediate Similarity NPD2798 Approved
0.7455 Intermediate Similarity NPD7199 Phase 2
0.7431 Intermediate Similarity NPD9269 Phase 2
0.7427 Intermediate Similarity NPD4419 Clinical (unspecified phase)
0.7397 Intermediate Similarity NPD2797 Approved
0.7397 Intermediate Similarity NPD1470 Approved
0.7394 Intermediate Similarity NPD9268 Approved
0.7389 Intermediate Similarity NPD6143 Clinical (unspecified phase)
0.7384 Intermediate Similarity NPD8313 Approved
0.7384 Intermediate Similarity NPD8312 Approved
0.7368 Intermediate Similarity NPD3658 Clinical (unspecified phase)
0.7365 Intermediate Similarity NPD7184 Clinical (unspecified phase)
0.7365 Intermediate Similarity NPD4908 Phase 1
0.7362 Intermediate Similarity NPD4288 Approved
0.7362 Intermediate Similarity NPD5353 Approved
0.7361 Intermediate Similarity NPD1201 Approved
0.7351 Intermediate Similarity NPD5123 Clinical (unspecified phase)
0.7351 Intermediate Similarity NPD5124 Phase 1
0.7351 Intermediate Similarity NPD8151 Discontinued
0.7349 Intermediate Similarity NPD1247 Approved
0.7347 Intermediate Similarity NPD1019 Discontinued
0.7343 Intermediate Similarity NPD1778 Approved
0.7343 Intermediate Similarity NPD17 Approved
0.7337 Intermediate Similarity NPD7228 Approved
0.7337 Intermediate Similarity NPD3751 Discontinued
0.7329 Intermediate Similarity NPD1283 Approved
0.7308 Intermediate Similarity NPD7003 Approved
0.7305 Intermediate Similarity NPD3787 Discontinued
0.7305 Intermediate Similarity NPD405 Clinical (unspecified phase)
0.7297 Intermediate Similarity NPD9494 Approved
0.7296 Intermediate Similarity NPD6273 Approved
0.7285 Intermediate Similarity NPD4060 Phase 1
0.7284 Intermediate Similarity NPD7615 Clinical (unspecified phase)
0.7273 Intermediate Similarity NPD4287 Approved
0.7268 Intermediate Similarity NPD7435 Discontinued
0.7267 Intermediate Similarity NPD4907 Clinical (unspecified phase)
0.7267 Intermediate Similarity NPD1296 Phase 2
0.7267 Intermediate Similarity NPD7458 Discontinued
0.7262 Intermediate Similarity NPD5242 Approved
0.726 Intermediate Similarity NPD4749 Approved
0.7257 Intermediate Similarity NPD8150 Discontinued
0.7241 Intermediate Similarity NPD1547 Clinical (unspecified phase)
0.7241 Intermediate Similarity NPD1610 Phase 2
0.7237 Intermediate Similarity NPD6355 Discontinued
0.723 Intermediate Similarity NPD6917 Clinical (unspecified phase)
0.7226 Intermediate Similarity NPD6004 Phase 3
0.7226 Intermediate Similarity NPD6002 Phase 3
0.7226 Intermediate Similarity NPD6006 Clinical (unspecified phase)
0.7226 Intermediate Similarity NPD6005 Phase 3
0.7226 Intermediate Similarity NPD6003 Clinical (unspecified phase)
0.7208 Intermediate Similarity NPD4308 Phase 3
0.72 Intermediate Similarity NPD4625 Phase 3
0.72 Intermediate Similarity NPD3027 Phase 3
0.72 Intermediate Similarity NPD8055 Clinical (unspecified phase)
0.7198 Intermediate Similarity NPD6778 Approved
0.7198 Intermediate Similarity NPD6779 Approved
0.7198 Intermediate Similarity NPD6777 Approved
0.7198 Intermediate Similarity NPD6776 Approved
0.7198 Intermediate Similarity NPD7501 Clinical (unspecified phase)
0.7198 Intermediate Similarity NPD6782 Approved
0.7198 Intermediate Similarity NPD6780 Approved
0.7198 Intermediate Similarity NPD6781 Approved
0.7192 Intermediate Similarity NPD3972 Approved
0.7172 Intermediate Similarity NPD3496 Discontinued
0.7171 Intermediate Similarity NPD2979 Phase 3
0.7162 Intermediate Similarity NPD3266 Approved
0.7162 Intermediate Similarity NPD3267 Approved
0.7162 Intermediate Similarity NPD1164 Approved
0.7161 Intermediate Similarity NPD4477 Approved
0.7161 Intermediate Similarity NPD2438 Suspended
0.7161 Intermediate Similarity NPD4476 Approved
0.7159 Intermediate Similarity NPD8434 Phase 2
0.7152 Intermediate Similarity NPD6190 Approved
0.7152 Intermediate Similarity NPD6410 Clinical (unspecified phase)
0.7152 Intermediate Similarity NPD6798 Discontinued
0.7135 Intermediate Similarity NPD7177 Discontinued
0.7135 Intermediate Similarity NPD7893 Clinical (unspecified phase)

Structure

External Identifiers

PubChem CID   75202782
ChEMBL   CHEMBL3319022
ZINC  

Physicochemical Properties

Molecular Weight:  306.15
ALogP:  -1.5981
MLogP:  2.78
XLogP:  2.929
# Rotatable Bonds:  4
Polar Surface Area:  72.83
# H-Bond Aceptor:  3
# H-Bond Donor:  1
# Rings:  2
# Heavy Atoms:  22

Download Data

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