Natural Product: NPC347923

Natural Product ID:  NPC347923
Common Name:   n.a.
IUPAC Name:  
Synonyms:   8-Acetylneosolaniol
Molecular Formula:   C21H28O9
Standard InCHIKey:  BIQPSTSCCIEMEI-KTYIDKBESA-N
Standard InCHI:  InChI=1S/C21H28O9/c1-10-6-15-20(8-26-11(2)22,7-14(10)28-12(3)23)19(5)17(29-13(4)24)16(25)18(30-15)21(19)9-27-21/h6,14-18,25H,7-9H2,1-5H3/t14-,15+,16+,17+,18+,19+,20+,21+/m0/s1
Canonical SMILES:  CC(=O)OC[C@]12C[C@H](OC(=O)C)C(=C[C@H]1O[C@H]1[C@]3([C@]2(C)[C@H](OC(=O)C)[C@H]1O)OC3)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
NPO11220 Fusarium sporotrichioides Species Nectriaceae Eukaryota PMID[1800633]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT27 Others Unspecified LC100 = 14 ug/ml 26186257

  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 NPC347923 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 NPC476057
0.989 High Similarity NPC274458
0.989 High Similarity NPC474957
0.989 High Similarity NPC79449
0.978 High Similarity NPC182811
0.9778 High Similarity NPC240838
0.9677 High Similarity NPC26557
0.9574 High Similarity NPC200672
0.9574 High Similarity NPC475956
0.9574 High Similarity NPC475986
0.9574 High Similarity NPC214714
0.9574 High Similarity NPC252242
0.9474 High Similarity NPC260809
0.9474 High Similarity NPC474783
0.9474 High Similarity NPC232515
0.9362 High Similarity NPC79631
0.9121 High Similarity NPC197107
0.9082 High Similarity NPC469960
0.9082 High Similarity NPC93026
0.9082 High Similarity NPC29389
0.9082 High Similarity NPC265502
0.899 High Similarity NPC469959
0.899 High Similarity NPC469957
0.899 High Similarity NPC472263
0.899 High Similarity NPC108682
0.8725 High Similarity NPC50223
0.8571 High Similarity NPC13743
0.8571 High Similarity NPC305044
0.8571 High Similarity NPC98813
0.8571 High Similarity NPC265290
0.8558 High Similarity NPC98038
0.8558 High Similarity NPC313921
0.8544 High Similarity NPC41551
0.8476 Intermediate Similarity NPC287075
0.8476 Intermediate Similarity NPC101965
0.8476 Intermediate Similarity NPC101400
0.8469 Intermediate Similarity NPC65700
0.8165 Intermediate Similarity NPC475130
0.8165 Intermediate Similarity NPC474286
0.8137 Intermediate Similarity NPC123505
0.8085 Intermediate Similarity NPC477668
0.8058 Intermediate Similarity NPC169843
0.8039 Intermediate Similarity NPC470972
0.7981 Intermediate Similarity NPC475290
0.7981 Intermediate Similarity NPC470980
0.7961 Intermediate Similarity NPC474124
0.7961 Intermediate Similarity NPC473523
0.7957 Intermediate Similarity NPC231601
0.7944 Intermediate Similarity NPC71680
0.7941 Intermediate Similarity NPC475617
0.7925 Intermediate Similarity NPC77089
0.79 Intermediate Similarity NPC57664
0.7895 Intermediate Similarity NPC137253
0.7885 Intermediate Similarity NPC475585
0.7885 Intermediate Similarity NPC473577
0.7885 Intermediate Similarity NPC474550
0.7885 Intermediate Similarity NPC473543
0.7879 Intermediate Similarity NPC281775
0.787 Intermediate Similarity NPC241477
0.787 Intermediate Similarity NPC126691
0.7864 Intermediate Similarity NPC475344
0.7864 Intermediate Similarity NPC476471
0.785 Intermediate Similarity NPC15551
0.7843 Intermediate Similarity NPC230546
0.7835 Intermediate Similarity NPC299527
0.7822 Intermediate Similarity NPC210337
0.7788 Intermediate Similarity NPC472821
0.7768 Intermediate Similarity NPC278681
0.7767 Intermediate Similarity NPC280991
0.7767 Intermediate Similarity NPC472554
0.7767 Intermediate Similarity NPC11974
0.7766 Intermediate Similarity NPC477667
0.7748 Intermediate Similarity NPC203862
0.7748 Intermediate Similarity NPC290693
0.7745 Intermediate Similarity NPC222303
0.7736 Intermediate Similarity NPC475781
0.7727 Intermediate Similarity NPC216665
0.7727 Intermediate Similarity NPC106446
0.7723 Intermediate Similarity NPC113433
0.7723 Intermediate Similarity NPC88009
0.7719 Intermediate Similarity NPC115349
0.7714 Intermediate Similarity NPC152966
0.7714 Intermediate Similarity NPC181104
0.7714 Intermediate Similarity NPC103298
0.7714 Intermediate Similarity NPC288502
0.7714 Intermediate Similarity NPC475335
0.7714 Intermediate Similarity NPC201144
0.7714 Intermediate Similarity NPC475331
0.7714 Intermediate Similarity NPC80809
0.7714 Intermediate Similarity NPC121518
0.7714 Intermediate Similarity NPC472822
0.77 Intermediate Similarity NPC472467
0.7699 Intermediate Similarity NPC112936
0.7692 Intermediate Similarity NPC472552
0.7679 Intermediate Similarity NPC16701
0.767 Intermediate Similarity NPC130792
0.767 Intermediate Similarity NPC473510
0.767 Intermediate Similarity NPC79303
0.7658 Intermediate Similarity NPC99620
0.7658 Intermediate Similarity NPC199428
0.7658 Intermediate Similarity NPC5311
0.7658 Intermediate Similarity NPC193382
0.7658 Intermediate Similarity NPC310341
0.7647 Intermediate Similarity NPC475032
0.7647 Intermediate Similarity NPC91197
0.7647 Intermediate Similarity NPC125551
0.7647 Intermediate Similarity NPC155319
0.7647 Intermediate Similarity NPC239547
0.7647 Intermediate Similarity NPC475033
0.7647 Intermediate Similarity NPC473244
0.7647 Intermediate Similarity NPC309503
0.7647 Intermediate Similarity NPC96597
0.7647 Intermediate Similarity NPC205143
0.7642 Intermediate Similarity NPC186668
0.7642 Intermediate Similarity NPC119855
0.7642 Intermediate Similarity NPC60315
0.7642 Intermediate Similarity NPC220217
0.7619 Intermediate Similarity NPC475334
0.7619 Intermediate Similarity NPC475623
0.7619 Intermediate Similarity NPC473694
0.7615 Intermediate Similarity NPC474750
0.7611 Intermediate Similarity NPC35171
0.7611 Intermediate Similarity NPC29639
0.7611 Intermediate Similarity NPC81222
0.7611 Intermediate Similarity NPC291820
0.7611 Intermediate Similarity NPC5883
0.7611 Intermediate Similarity NPC44899
0.7611 Intermediate Similarity NPC304260
0.7611 Intermediate Similarity NPC213761
0.7609 Intermediate Similarity NPC477089
0.76 Intermediate Similarity NPC470187
0.7593 Intermediate Similarity NPC128133
0.7589 Intermediate Similarity NPC99728
0.7589 Intermediate Similarity NPC50305
0.7589 Intermediate Similarity NPC142066
0.7589 Intermediate Similarity NPC93883
0.7589 Intermediate Similarity NPC471354
0.7589 Intermediate Similarity NPC152615
0.7589 Intermediate Similarity NPC244402
0.7589 Intermediate Similarity NPC185287
0.7589 Intermediate Similarity NPC471353
0.7589 Intermediate Similarity NPC87250
0.7589 Intermediate Similarity NPC471355
0.7589 Intermediate Similarity NPC243196
0.7589 Intermediate Similarity NPC471351
0.7589 Intermediate Similarity NPC309034
0.7589 Intermediate Similarity NPC474418
0.7589 Intermediate Similarity NPC77319
0.7589 Intermediate Similarity NPC27507
0.7589 Intermediate Similarity NPC473852
0.7589 Intermediate Similarity NPC157380
0.7589 Intermediate Similarity NPC34390
0.7589 Intermediate Similarity NPC157376
0.7589 Intermediate Similarity NPC196429
0.7589 Intermediate Similarity NPC158344
0.7589 Intermediate Similarity NPC84987
0.7576 Intermediate Similarity NPC202886
0.7573 Intermediate Similarity NPC177232
0.7573 Intermediate Similarity NPC212465
0.757 Intermediate Similarity NPC472820
0.7568 Intermediate Similarity NPC471633
0.7568 Intermediate Similarity NPC178289
0.7568 Intermediate Similarity NPC84949
0.7568 Intermediate Similarity NPC69576
0.7568 Intermediate Similarity NPC31354
0.7568 Intermediate Similarity NPC43213
0.7565 Intermediate Similarity NPC471082
0.7549 Intermediate Similarity NPC284194
0.7549 Intermediate Similarity NPC471765
0.7549 Intermediate Similarity NPC129569
0.7549 Intermediate Similarity NPC211810
0.7549 Intermediate Similarity NPC221801
0.7547 Intermediate Similarity NPC200861
0.7545 Intermediate Similarity NPC473567
0.7545 Intermediate Similarity NPC216595
0.7544 Intermediate Similarity NPC79579
0.7544 Intermediate Similarity NPC107607
0.7526 Intermediate Similarity NPC255143
0.7525 Intermediate Similarity NPC472416
0.7525 Intermediate Similarity NPC472360
0.7524 Intermediate Similarity NPC109195
0.7524 Intermediate Similarity NPC475038
0.7523 Intermediate Similarity NPC472214
0.7523 Intermediate Similarity NPC472215
0.7522 Intermediate Similarity NPC218093
0.7522 Intermediate Similarity NPC83287
0.75 Intermediate Similarity NPC472468
0.75 Intermediate Similarity NPC88701
0.75 Intermediate Similarity NPC78673
0.75 Intermediate Similarity NPC188968
0.75 Intermediate Similarity NPC83702
0.75 Intermediate Similarity NPC271295
0.75 Intermediate Similarity NPC38855
0.75 Intermediate Similarity NPC249034
0.75 Intermediate Similarity NPC160517
0.75 Intermediate Similarity NPC186155
0.75 Intermediate Similarity NPC234335
0.7478 Intermediate Similarity NPC475219
0.7478 Intermediate Similarity NPC40749
0.7478 Intermediate Similarity NPC231518

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC347923 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
0.7522 Intermediate Similarity NPD7328 Approved
0.7522 Intermediate Similarity NPD7327 Approved
0.7478 Intermediate Similarity NPD8033 Approved
0.7478 Intermediate Similarity NPD7503 Approved
0.7456 Intermediate Similarity NPD7516 Approved
0.74 Intermediate Similarity NPD46 Approved
0.74 Intermediate Similarity NPD6698 Approved
0.7391 Intermediate Similarity NPD8294 Approved
0.7391 Intermediate Similarity NPD8377 Approved
0.7328 Intermediate Similarity NPD8378 Approved
0.7328 Intermediate Similarity NPD8296 Approved
0.7328 Intermediate Similarity NPD8380 Approved
0.7328 Intermediate Similarity NPD8335 Approved
0.7328 Intermediate Similarity NPD8379 Approved
0.7238 Intermediate Similarity NPD7638 Approved
0.7228 Intermediate Similarity NPD7838 Discovery
0.717 Intermediate Similarity NPD7640 Approved
0.717 Intermediate Similarity NPD7639 Approved
0.7117 Intermediate Similarity NPD4061 Clinical (unspecified phase)
0.7103 Intermediate Similarity NPD5344 Discontinued
0.7083 Intermediate Similarity NPD7507 Approved
0.7027 Intermediate Similarity NPD6686 Approved
0.6961 Remote Similarity NPD6051 Approved
0.6949 Remote Similarity NPD6319 Approved
0.6937 Remote Similarity NPD6412 Phase 2
0.693 Remote Similarity NPD6053 Discontinued
0.6911 Remote Similarity NPD7319 Approved
0.6903 Remote Similarity NPD6371 Approved
0.6903 Remote Similarity NPD5955 Clinical (unspecified phase)
0.6838 Remote Similarity NPD7115 Discovery
0.6832 Remote Similarity NPD4249 Approved
0.6786 Remote Similarity NPD7899 Clinical (unspecified phase)
0.6765 Remote Similarity NPD4250 Approved
0.6765 Remote Similarity NPD4251 Approved
0.6765 Remote Similarity NPD7524 Approved
0.6759 Remote Similarity NPD4225 Approved
0.6735 Remote Similarity NPD4822 Approved
0.6735 Remote Similarity NPD5790 Clinical (unspecified phase)
0.6735 Remote Similarity NPD4821 Approved
0.6735 Remote Similarity NPD4819 Approved
0.6735 Remote Similarity NPD4820 Approved
0.6733 Remote Similarity NPD6082 Clinical (unspecified phase)
0.6724 Remote Similarity NPD4632 Approved
0.6697 Remote Similarity NPD6648 Approved
0.6638 Remote Similarity NPD8297 Approved
0.6637 Remote Similarity NPD5954 Clinical (unspecified phase)
0.6636 Remote Similarity NPD4159 Approved
0.6634 Remote Similarity NPD7338 Clinical (unspecified phase)
0.6606 Remote Similarity NPD8029 Clinical (unspecified phase)
0.6581 Remote Similarity NPD8133 Approved
0.6577 Remote Similarity NPD7632 Discontinued
0.6552 Remote Similarity NPD8413 Clinical (unspecified phase)
0.6549 Remote Similarity NPD5739 Approved
0.6549 Remote Similarity NPD6675 Approved
0.6549 Remote Similarity NPD6008 Approved
0.6549 Remote Similarity NPD6402 Approved
0.6549 Remote Similarity NPD7128 Approved
0.6535 Remote Similarity NPD6695 Phase 3
0.6531 Remote Similarity NPD4271 Approved
0.6531 Remote Similarity NPD4268 Approved
0.6522 Remote Similarity NPD6373 Approved
0.6522 Remote Similarity NPD6372 Approved
0.6514 Remote Similarity NPD6084 Phase 2
0.6514 Remote Similarity NPD6083 Phase 2
0.6509 Remote Similarity NPD7637 Suspended
0.6491 Remote Similarity NPD5701 Approved
0.6491 Remote Similarity NPD5697 Approved
0.6481 Remote Similarity NPD5695 Phase 3
0.6475 Remote Similarity NPD8513 Phase 3
0.6475 Remote Similarity NPD8516 Approved
0.6475 Remote Similarity NPD8517 Approved
0.6475 Remote Similarity NPD8515 Approved
0.6471 Remote Similarity NPD6400 Clinical (unspecified phase)
0.6452 Remote Similarity NPD7492 Approved
0.6442 Remote Similarity NPD4751 Clinical (unspecified phase)
0.6436 Remote Similarity NPD6435 Approved
0.6435 Remote Similarity NPD6899 Approved
0.6435 Remote Similarity NPD6881 Approved
0.6435 Remote Similarity NPD7320 Approved
0.6417 Remote Similarity NPD6009 Approved
0.641 Remote Similarity NPD6649 Approved
0.641 Remote Similarity NPD6650 Approved
0.64 Remote Similarity NPD6616 Approved
0.6393 Remote Similarity NPD6059 Approved
0.6393 Remote Similarity NPD6054 Approved
0.6379 Remote Similarity NPD6014 Approved
0.6379 Remote Similarity NPD6012 Approved
0.6379 Remote Similarity NPD6013 Approved
0.6371 Remote Similarity NPD7604 Phase 2
0.6356 Remote Similarity NPD6882 Approved
0.6355 Remote Similarity NPD7983 Approved
0.6349 Remote Similarity NPD8293 Discontinued
0.6349 Remote Similarity NPD7078 Approved
0.6341 Remote Similarity NPD6015 Approved
0.6341 Remote Similarity NPD5983 Phase 2
0.6341 Remote Similarity NPD6016 Approved
0.6327 Remote Similarity NPD3701 Clinical (unspecified phase)
0.6325 Remote Similarity NPD6883 Approved
0.6325 Remote Similarity NPD7290 Approved
0.6325 Remote Similarity NPD4634 Approved
0.6325 Remote Similarity NPD7102 Approved
0.6321 Remote Similarity NPD1695 Approved
0.6306 Remote Similarity NPD5696 Approved
0.6304 Remote Similarity NPD2685 Clinical (unspecified phase)
0.6299 Remote Similarity NPD7736 Approved
0.6296 Remote Similarity NPD6399 Phase 3
0.6293 Remote Similarity NPD6011 Approved
0.6293 Remote Similarity NPD5345 Clinical (unspecified phase)
0.629 Remote Similarity NPD5988 Approved
0.629 Remote Similarity NPD6370 Approved
0.6286 Remote Similarity NPD7750 Discontinued
0.6273 Remote Similarity NPD4792 Clinical (unspecified phase)
0.6271 Remote Similarity NPD6847 Approved
0.6271 Remote Similarity NPD6869 Approved
0.6271 Remote Similarity NPD6617 Approved
0.6271 Remote Similarity NPD8130 Phase 1
0.6262 Remote Similarity NPD5785 Approved
0.6239 Remote Similarity NPD8132 Clinical (unspecified phase)
0.6238 Remote Similarity NPD5368 Approved
0.6238 Remote Similarity NPD6931 Approved
0.6238 Remote Similarity NPD6930 Phase 2
0.6238 Remote Similarity NPD7525 Registered
0.622 Remote Similarity NPD8074 Phase 3
0.6216 Remote Similarity NPD4755 Approved
0.6214 Remote Similarity NPD5362 Discontinued
0.6214 Remote Similarity NPD7154 Phase 3
0.6204 Remote Similarity NPD5693 Phase 1
0.619 Remote Similarity NPD5330 Approved
0.619 Remote Similarity NPD7334 Approved
0.619 Remote Similarity NPD7146 Approved
0.619 Remote Similarity NPD6409 Approved
0.619 Remote Similarity NPD7521 Approved
0.619 Remote Similarity NPD6684 Approved
0.6168 Remote Similarity NPD4753 Phase 2
0.6162 Remote Similarity NPD6933 Approved
0.6154 Remote Similarity NPD3666 Approved
0.6154 Remote Similarity NPD3665 Phase 1
0.6154 Remote Similarity NPD7260 Phase 2
0.6154 Remote Similarity NPD3133 Approved
0.6147 Remote Similarity NPD4202 Approved
0.6147 Remote Similarity NPD5779 Approved
0.6147 Remote Similarity NPD5778 Approved
0.6142 Remote Similarity NPD6336 Discontinued
0.614 Remote Similarity NPD5211 Phase 2
0.6139 Remote Similarity NPD6929 Approved
0.6134 Remote Similarity NPD6401 Clinical (unspecified phase)
0.6106 Remote Similarity NPD5286 Approved
0.6106 Remote Similarity NPD4700 Approved
0.6106 Remote Similarity NPD4696 Approved
0.6106 Remote Similarity NPD5285 Approved
0.6095 Remote Similarity NPD1733 Clinical (unspecified phase)
0.6095 Remote Similarity NPD1694 Approved
0.6078 Remote Similarity NPD7514 Phase 3
0.6075 Remote Similarity NPD6903 Approved
0.6075 Remote Similarity NPD7513 Clinical (unspecified phase)
0.6066 Remote Similarity NPD6274 Approved
0.6058 Remote Similarity NPD5332 Approved
0.6058 Remote Similarity NPD5331 Approved
0.6055 Remote Similarity NPD5281 Approved
0.6055 Remote Similarity NPD7087 Discontinued
0.6055 Remote Similarity NPD5284 Approved
0.6055 Remote Similarity NPD6411 Approved
0.604 Remote Similarity NPD5784 Clinical (unspecified phase)
0.6036 Remote Similarity NPD6356 Clinical (unspecified phase)
0.6034 Remote Similarity NPD5141 Approved
0.6019 Remote Similarity NPD4790 Discontinued
0.6019 Remote Similarity NPD6902 Approved
0.6019 Remote Similarity NPD5369 Approved
0.6 Remote Similarity NPD5226 Approved
0.6 Remote Similarity NPD4633 Approved
0.6 Remote Similarity NPD7625 Phase 1
0.6 Remote Similarity NPD5225 Approved
0.6 Remote Similarity NPD5224 Approved
0.5984 Remote Similarity NPD6067 Discontinued
0.5984 Remote Similarity NPD8328 Phase 3
0.5983 Remote Similarity NPD4767 Approved
0.5983 Remote Similarity NPD4768 Approved
0.598 Remote Similarity NPD4195 Approved
0.5978 Remote Similarity NPD368 Approved
0.5963 Remote Similarity NPD3168 Discontinued
0.5962 Remote Similarity NPD4269 Approved
0.5962 Remote Similarity NPD4270 Approved
0.5962 Remote Similarity NPD4752 Clinical (unspecified phase)
0.5962 Remote Similarity NPD3667 Approved
0.596 Remote Similarity NPD6926 Approved
0.596 Remote Similarity NPD6924 Approved
0.5948 Remote Similarity NPD5175 Approved
0.5948 Remote Similarity NPD5174 Approved
0.5946 Remote Similarity NPD5282 Discontinued
0.5943 Remote Similarity NPD6893 Approved
0.5941 Remote Similarity NPD6925 Approved
0.5941 Remote Similarity NPD5776 Phase 2
0.5941 Remote Similarity NPD6932 Approved
0.5932 Remote Similarity NPD6685 Approved
0.5923 Remote Similarity NPD6033 Approved
0.5922 Remote Similarity NPD7332 Phase 2
0.592 Remote Similarity NPD7100 Approved
0.592 Remote Similarity NPD7101 Approved
0.5918 Remote Similarity NPD4243 Approved
0.5913 Remote Similarity NPD5223 Approved

Structure

External Identifiers

PubChem CID   35024314
ChEMBL   CHEMBL489963
ZINC  

Physicochemical Properties

Molecular Weight:  424.17
ALogP:  -0.6468
MLogP:  2.78
XLogP:  0.362
# Rotatable Bonds:  13
Polar Surface Area:  120.89
# H-Bond Aceptor:  9
# H-Bond Donor:  1
# Rings:  4
# Heavy Atoms:  30

Download Data

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