Natural Product: NPC136289

Natural Product ID:  NPC136289
Common Name:   n.a.
IUPAC Name:  
Synonyms:  
Molecular Formula:   C24H32O6
Standard InCHIKey:  XFKVVBCVBXGLMH-JNEANYDJSA-N
Standard InCHI:  InChI=1S/C24H32O6/c1-12-15-10-24(21(12)28)11-17(29-13(2)25)20-22(4,5)8-7-19(30-14(3)26)23(20,6)18(24)9-16(15)27/h9,15-17,19-20,27H,1,7-8,10-11H2,2-6H3/t15-,16-,17+,19+,20-,23-,24+/m1/s1
Canonical SMILES:  CC(=O)O[C@H]1C[C@]23C[C@H](C(=C)C2=O)[C@@H](C=C3[C@]2([C@H]1C(C)(C)CC[C@@H]2OC(=O)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
NPO33117 jungermannia atrobrunnea Species Jungermanniaceae Eukaryota PMID[18665642]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT20 Organism Candida albicans Candida albicans MIC = 128 ug/ml 15104488

  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 NPC136289 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
0.9894 High Similarity NPC81530
0.9375 High Similarity NPC476274
0.9278 High Similarity NPC476240
0.9278 High Similarity NPC224720
0.9278 High Similarity NPC476223
0.9072 High Similarity NPC478056
0.89 High Similarity NPC236390
0.8866 High Similarity NPC328371
0.8812 High Similarity NPC96268
0.88 High Similarity NPC195290
0.88 High Similarity NPC119601
0.88 High Similarity NPC204450
0.88 High Similarity NPC308726
0.8788 High Similarity NPC287833
0.8776 High Similarity NPC474343
0.8776 High Similarity NPC226986
0.8776 High Similarity NPC170131
0.8776 High Similarity NPC253826
0.8763 High Similarity NPC317586
0.8763 High Similarity NPC469599
0.8763 High Similarity NPC134067
0.8763 High Similarity NPC173875
0.8763 High Similarity NPC318282
0.8763 High Similarity NPC98639
0.8763 High Similarity NPC469995
0.8763 High Similarity NPC174948
0.8763 High Similarity NPC470016
0.875 High Similarity NPC294263
0.8738 High Similarity NPC189075
0.8738 High Similarity NPC295244
0.8738 High Similarity NPC275539
0.8713 High Similarity NPC159442
0.8713 High Similarity NPC476237
0.8713 High Similarity NPC90177
0.87 High Similarity NPC302537
0.87 High Similarity NPC163372
0.8687 High Similarity NPC197386
0.8687 High Similarity NPC176845
0.8687 High Similarity NPC114274
0.8679 High Similarity NPC962
0.8679 High Similarity NPC250109
0.8673 High Similarity NPC200054
0.8673 High Similarity NPC29410
0.866 High Similarity NPC166906
0.866 High Similarity NPC184870
0.8646 High Similarity NPC297265
0.8641 High Similarity NPC475294
0.8641 High Similarity NPC472925
0.8641 High Similarity NPC230541
0.8641 High Similarity NPC110496
0.8627 High Similarity NPC28656
0.8627 High Similarity NPC118911
0.8614 High Similarity NPC293753
0.8614 High Similarity NPC56498
0.8611 High Similarity NPC471854
0.86 High Similarity NPC218383
0.86 High Similarity NPC51370
0.86 High Similarity NPC477521
0.86 High Similarity NPC205899
0.86 High Similarity NPC266955
0.8586 High Similarity NPC121339
0.8586 High Similarity NPC18319
0.8586 High Similarity NPC254496
0.8586 High Similarity NPC108078
0.8586 High Similarity NPC320306
0.8586 High Similarity NPC475894
0.8586 High Similarity NPC107243
0.8586 High Similarity NPC23680
0.8585 High Similarity NPC71348
0.8571 High Similarity NPC197428
0.8571 High Similarity NPC53565
0.8558 High Similarity NPC469844
0.8557 High Similarity NPC476416
0.8557 High Similarity NPC470224
0.8557 High Similarity NPC470376
0.8557 High Similarity NPC69454
0.8557 High Similarity NPC38232
0.8557 High Similarity NPC470254
0.8557 High Similarity NPC170220
0.8557 High Similarity NPC107674
0.8557 High Similarity NPC141497
0.8557 High Similarity NPC470375
0.8544 High Similarity NPC323834
0.8544 High Similarity NPC231530
0.8544 High Similarity NPC278628
0.8542 High Similarity NPC48010
0.8542 High Similarity NPC471896
0.8529 High Similarity NPC264048
0.8529 High Similarity NPC478057
0.8529 High Similarity NPC95899
0.8529 High Similarity NPC55872
0.8529 High Similarity NPC140723
0.8519 High Similarity NPC49492
0.8519 High Similarity NPC266728
0.8519 High Similarity NPC270929
0.8515 High Similarity NPC472924
0.8515 High Similarity NPC115899
0.8515 High Similarity NPC115862
0.8515 High Similarity NPC474327
0.8511 High Similarity NPC473226
0.8511 High Similarity NPC322159
0.8505 High Similarity NPC472929
0.8505 High Similarity NPC122056
0.8505 High Similarity NPC202889
0.8505 High Similarity NPC472926
0.8505 High Similarity NPC25909
0.85 High Similarity NPC28864
0.85 High Similarity NPC20479
0.85 High Similarity NPC162459
0.85 High Similarity NPC38296
0.85 High Similarity NPC471717
0.85 High Similarity NPC98837
0.85 High Similarity NPC10364
0.85 High Similarity NPC471038
0.85 High Similarity NPC48647
0.85 High Similarity NPC38471
0.8491 Intermediate Similarity NPC472928
0.8491 Intermediate Similarity NPC474315
0.8485 Intermediate Similarity NPC7124
0.8485 Intermediate Similarity NPC305483
0.8485 Intermediate Similarity NPC456
0.8485 Intermediate Similarity NPC249954
0.8485 Intermediate Similarity NPC301534
0.8485 Intermediate Similarity NPC104568
0.8485 Intermediate Similarity NPC250757
0.8485 Intermediate Similarity NPC96859
0.8485 Intermediate Similarity NPC235053
0.8485 Intermediate Similarity NPC472941
0.8485 Intermediate Similarity NPC3772
0.8485 Intermediate Similarity NPC328162
0.8485 Intermediate Similarity NPC13949
0.8476 Intermediate Similarity NPC474901
0.8476 Intermediate Similarity NPC141350
0.8476 Intermediate Similarity NPC475941
0.8469 Intermediate Similarity NPC119562
0.8469 Intermediate Similarity NPC472977
0.8469 Intermediate Similarity NPC279410
0.8469 Intermediate Similarity NPC472976
0.8469 Intermediate Similarity NPC159410
0.8469 Intermediate Similarity NPC469406
0.8462 Intermediate Similarity NPC220229
0.8462 Intermediate Similarity NPC475060
0.8462 Intermediate Similarity NPC44063
0.8455 Intermediate Similarity NPC475041
0.8455 Intermediate Similarity NPC61520
0.8454 Intermediate Similarity NPC110657
0.8454 Intermediate Similarity NPC63748
0.8454 Intermediate Similarity NPC154101
0.8454 Intermediate Similarity NPC473998
0.8454 Intermediate Similarity NPC107690
0.8454 Intermediate Similarity NPC472978
0.8454 Intermediate Similarity NPC26888
0.8454 Intermediate Similarity NPC186363
0.8454 Intermediate Similarity NPC212301
0.8454 Intermediate Similarity NPC250753
0.8454 Intermediate Similarity NPC86266
0.8454 Intermediate Similarity NPC233345
0.8447 Intermediate Similarity NPC189616
0.8447 Intermediate Similarity NPC235889
0.844 Intermediate Similarity NPC472927
0.8438 Intermediate Similarity NPC309603
0.8438 Intermediate Similarity NPC475921
0.8438 Intermediate Similarity NPC473999
0.8438 Intermediate Similarity NPC474704
0.8438 Intermediate Similarity NPC262858
0.8438 Intermediate Similarity NPC472240
0.8438 Intermediate Similarity NPC146554
0.8438 Intermediate Similarity NPC472973
0.8431 Intermediate Similarity NPC234892
0.8431 Intermediate Similarity NPC477915
0.8431 Intermediate Similarity NPC473424
0.8426 Intermediate Similarity NPC67259
0.8426 Intermediate Similarity NPC147912
0.8421 Intermediate Similarity NPC474684
0.8421 Intermediate Similarity NPC142361
0.8416 Intermediate Similarity NPC117685
0.8416 Intermediate Similarity NPC154072
0.8416 Intermediate Similarity NPC293866
0.8416 Intermediate Similarity NPC327431
0.8416 Intermediate Similarity NPC307954
0.8416 Intermediate Similarity NPC471041
0.8416 Intermediate Similarity NPC316964
0.8416 Intermediate Similarity NPC476303
0.8416 Intermediate Similarity NPC201406
0.8411 Intermediate Similarity NPC12046
0.8411 Intermediate Similarity NPC264634
0.8411 Intermediate Similarity NPC475524
0.8411 Intermediate Similarity NPC100267
0.8411 Intermediate Similarity NPC194951
0.84 Intermediate Similarity NPC175351
0.84 Intermediate Similarity NPC121402
0.84 Intermediate Similarity NPC141401
0.84 Intermediate Similarity NPC38530
0.84 Intermediate Similarity NPC132753
0.84 Intermediate Similarity NPC106557
0.84 Intermediate Similarity NPC84335
0.84 Intermediate Similarity NPC285513
0.84 Intermediate Similarity NPC189880
0.84 Intermediate Similarity NPC292133
0.84 Intermediate Similarity NPC151681

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC136289 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
0.875 High Similarity NPD6399 Phase 3
0.8558 High Similarity NPD6899 Approved
0.8558 High Similarity NPD6881 Approved
0.8544 High Similarity NPD6675 Approved
0.8544 High Similarity NPD6402 Approved
0.8544 High Similarity NPD5739 Approved
0.8544 High Similarity NPD7128 Approved
0.8491 Intermediate Similarity NPD6649 Approved
0.8491 Intermediate Similarity NPD6650 Approved
0.8476 Intermediate Similarity NPD6373 Approved
0.8476 Intermediate Similarity NPD6372 Approved
0.8462 Intermediate Similarity NPD5697 Approved
0.8454 Intermediate Similarity NPD6079 Approved
0.8438 Intermediate Similarity NPD5328 Approved
0.8396 Intermediate Similarity NPD6883 Approved
0.8396 Intermediate Similarity NPD7290 Approved
0.8396 Intermediate Similarity NPD7102 Approved
0.8381 Intermediate Similarity NPD7320 Approved
0.8381 Intermediate Similarity NPD6011 Approved
0.8318 Intermediate Similarity NPD8130 Phase 1
0.8318 Intermediate Similarity NPD6617 Approved
0.8318 Intermediate Similarity NPD6847 Approved
0.8318 Intermediate Similarity NPD6869 Approved
0.8302 Intermediate Similarity NPD6013 Approved
0.8302 Intermediate Similarity NPD6012 Approved
0.8302 Intermediate Similarity NPD6014 Approved
0.8286 Intermediate Similarity NPD5701 Approved
0.8273 Intermediate Similarity NPD7115 Discovery
0.8252 Intermediate Similarity NPD5211 Phase 2
0.8241 Intermediate Similarity NPD8297 Approved
0.8241 Intermediate Similarity NPD6882 Approved
0.8218 Intermediate Similarity NPD7902 Approved
0.8148 Intermediate Similarity NPD6401 Clinical (unspecified phase)
0.8125 Intermediate Similarity NPD3618 Phase 1
0.8119 Intermediate Similarity NPD4697 Phase 3
0.8119 Intermediate Similarity NPD5221 Approved
0.8119 Intermediate Similarity NPD5220 Clinical (unspecified phase)
0.8119 Intermediate Similarity NPD5222 Approved
0.8105 Intermediate Similarity NPD4786 Approved
0.81 Intermediate Similarity NPD7748 Approved
0.8095 Intermediate Similarity NPD5141 Approved
0.8081 Intermediate Similarity NPD7515 Phase 2
0.8058 Intermediate Similarity NPD7639 Approved
0.8058 Intermediate Similarity NPD5286 Approved
0.8058 Intermediate Similarity NPD5285 Approved
0.8058 Intermediate Similarity NPD7640 Approved
0.8058 Intermediate Similarity NPD4696 Approved
0.8039 Intermediate Similarity NPD4755 Approved
0.8039 Intermediate Similarity NPD5173 Approved
0.8019 Intermediate Similarity NPD6008 Approved
0.7981 Intermediate Similarity NPD5223 Approved
0.7961 Intermediate Similarity NPD7638 Approved
0.7921 Intermediate Similarity NPD7900 Approved
0.7921 Intermediate Similarity NPD7901 Clinical (unspecified phase)
0.7905 Intermediate Similarity NPD5225 Approved
0.7905 Intermediate Similarity NPD5226 Approved
0.7905 Intermediate Similarity NPD4633 Approved
0.7905 Intermediate Similarity NPD5224 Approved
0.79 Intermediate Similarity NPD8035 Phase 2
0.79 Intermediate Similarity NPD8034 Phase 2
0.7895 Intermediate Similarity NPD3667 Approved
0.7885 Intermediate Similarity NPD4700 Approved
0.7876 Intermediate Similarity NPD6335 Approved
0.7864 Intermediate Similarity NPD6084 Phase 2
0.7864 Intermediate Similarity NPD6083 Phase 2
0.7857 Intermediate Similarity NPD6274 Approved
0.7857 Intermediate Similarity NPD6868 Approved
0.7838 Intermediate Similarity NPD4632 Approved
0.783 Intermediate Similarity NPD5175 Approved
0.783 Intermediate Similarity NPD5174 Approved
0.7822 Intermediate Similarity NPD4202 Approved
0.7807 Intermediate Similarity NPD7100 Approved
0.7807 Intermediate Similarity NPD7101 Approved
0.7788 Intermediate Similarity NPD4225 Approved
0.7788 Intermediate Similarity NPD6317 Approved
0.7778 Intermediate Similarity NPD6672 Approved
0.7778 Intermediate Similarity NPD5737 Approved
0.7755 Intermediate Similarity NPD5330 Approved
0.7755 Intermediate Similarity NPD7146 Approved
0.7755 Intermediate Similarity NPD7334 Approved
0.7755 Intermediate Similarity NPD7521 Approved
0.7755 Intermediate Similarity NPD6409 Approved
0.7755 Intermediate Similarity NPD6684 Approved
0.7719 Intermediate Similarity NPD6314 Approved
0.7719 Intermediate Similarity NPD6313 Approved
0.7677 Intermediate Similarity NPD3573 Approved
0.7672 Intermediate Similarity NPD6291 Clinical (unspecified phase)
0.767 Intermediate Similarity NPD6356 Clinical (unspecified phase)
0.7664 Intermediate Similarity NPD4754 Approved
0.7653 Intermediate Similarity NPD7520 Clinical (unspecified phase)
0.7632 Intermediate Similarity NPD6009 Approved
0.7619 Intermediate Similarity NPD5696 Approved
0.76 Intermediate Similarity NPD6903 Approved
0.76 Intermediate Similarity NPD7513 Clinical (unspecified phase)
0.7586 Intermediate Similarity NPD6319 Approved
0.7551 Intermediate Similarity NPD3666 Approved
0.7551 Intermediate Similarity NPD3665 Phase 1
0.7551 Intermediate Similarity NPD3133 Approved
0.7549 Intermediate Similarity NPD6411 Approved
0.7545 Intermediate Similarity NPD4729 Approved
0.7545 Intermediate Similarity NPD5128 Approved
0.7545 Intermediate Similarity NPD4730 Approved
0.7542 Intermediate Similarity NPD7604 Phase 2
0.7523 Intermediate Similarity NPD4767 Approved
0.7523 Intermediate Similarity NPD4768 Approved
0.7521 Intermediate Similarity NPD5983 Phase 2
0.7521 Intermediate Similarity NPD6909 Approved
0.7521 Intermediate Similarity NPD6908 Approved
0.75 Intermediate Similarity NPD5695 Phase 3
0.7479 Intermediate Similarity NPD7492 Approved
0.7476 Intermediate Similarity NPD5779 Approved
0.7476 Intermediate Similarity NPD5778 Approved
0.7475 Intermediate Similarity NPD1694 Approved
0.7436 Intermediate Similarity NPD6054 Approved
0.7417 Intermediate Similarity NPD6616 Approved
0.7417 Intermediate Similarity NPD6336 Discontinued
0.7411 Intermediate Similarity NPD4634 Approved
0.7411 Intermediate Similarity NPD5251 Approved
0.7411 Intermediate Similarity NPD5134 Clinical (unspecified phase)
0.7411 Intermediate Similarity NPD5249 Phase 3
0.7411 Intermediate Similarity NPD5247 Approved
0.7411 Intermediate Similarity NPD5169 Approved
0.7411 Intermediate Similarity NPD5135 Approved
0.7411 Intermediate Similarity NPD5248 Approved
0.7411 Intermediate Similarity NPD5250 Approved
0.7407 Intermediate Similarity NPD7632 Discontinued
0.74 Intermediate Similarity NPD3574 Clinical (unspecified phase)
0.7387 Intermediate Similarity NPD5168 Approved
0.7379 Intermediate Similarity NPD5281 Approved
0.7379 Intermediate Similarity NPD5284 Approved
0.7374 Intermediate Similarity NPD3668 Phase 3
0.7355 Intermediate Similarity NPD7078 Approved
0.7353 Intermediate Similarity NPD6904 Approved
0.7353 Intermediate Similarity NPD6080 Approved
0.7353 Intermediate Similarity NPD5764 Clinical (unspecified phase)
0.7353 Intermediate Similarity NPD6101 Approved
0.7353 Intermediate Similarity NPD6673 Approved
0.7353 Intermediate Similarity NPD4753 Phase 2
0.7347 Intermediate Similarity NPD4752 Clinical (unspecified phase)
0.7345 Intermediate Similarity NPD5127 Approved
0.7345 Intermediate Similarity NPD5216 Approved
0.7345 Intermediate Similarity NPD5217 Approved
0.7345 Intermediate Similarity NPD5215 Approved
0.7333 Intermediate Similarity NPD5210 Approved
0.7333 Intermediate Similarity NPD4629 Approved
0.732 Intermediate Similarity NPD7525 Registered
0.7311 Intermediate Similarity NPD6370 Approved
0.7295 Intermediate Similarity NPD7736 Approved
0.7292 Intermediate Similarity NPD5784 Clinical (unspecified phase)
0.7288 Intermediate Similarity NPD6059 Approved
0.7282 Intermediate Similarity NPD5785 Approved
0.7281 Intermediate Similarity NPD6053 Discontinued
0.7273 Intermediate Similarity NPD7507 Approved
0.7238 Intermediate Similarity NPD6001 Approved
0.7232 Intermediate Similarity NPD6686 Approved
0.7228 Intermediate Similarity NPD5786 Approved
0.7228 Intermediate Similarity NPD5279 Phase 3
0.7228 Intermediate Similarity NPD6098 Approved
0.7227 Intermediate Similarity NPD6016 Approved
0.7227 Intermediate Similarity NPD6015 Approved
0.7213 Intermediate Similarity NPD8293 Discontinued
0.7212 Intermediate Similarity NPD7637 Suspended
0.7212 Intermediate Similarity NPD5693 Phase 1
0.7188 Intermediate Similarity NPD6116 Phase 1
0.7172 Intermediate Similarity NPD4221 Approved
0.7172 Intermediate Similarity NPD4223 Phase 3
0.717 Intermediate Similarity NPD1698 Clinical (unspecified phase)
0.7168 Intermediate Similarity NPD4061 Clinical (unspecified phase)
0.7167 Intermediate Similarity NPD5988 Approved
0.7158 Intermediate Similarity NPD7339 Approved
0.7158 Intermediate Similarity NPD6942 Approved
0.7155 Intermediate Similarity NPD5167 Approved
0.7143 Intermediate Similarity NPD6412 Phase 2
0.7143 Intermediate Similarity NPD4695 Discontinued
0.7129 Intermediate Similarity NPD5329 Approved
0.7129 Intermediate Similarity NPD5363 Approved
0.7107 Intermediate Similarity NPD8328 Phase 3
0.7105 Intermediate Similarity NPD5955 Clinical (unspecified phase)
0.71 Intermediate Similarity NPD5362 Discontinued
0.71 Intermediate Similarity NPD4788 Approved
0.7097 Intermediate Similarity NPD7319 Approved
0.7087 Intermediate Similarity NPD5208 Approved
0.7083 Intermediate Similarity NPD6117 Approved
0.708 Intermediate Similarity NPD5345 Clinical (unspecified phase)
0.7059 Intermediate Similarity NPD4623 Approved
0.7059 Intermediate Similarity NPD4519 Discontinued
0.7048 Intermediate Similarity NPD6050 Approved
0.703 Intermediate Similarity NPD4197 Approved
0.7019 Intermediate Similarity NPD6051 Approved
0.7019 Intermediate Similarity NPD7285 Clinical (unspecified phase)
0.7018 Intermediate Similarity NPD8132 Clinical (unspecified phase)
0.7 Intermediate Similarity NPD4269 Approved
0.7 Intermediate Similarity NPD4270 Approved
0.7 Intermediate Similarity NPD6435 Approved
0.6952 Remote Similarity NPD5207 Approved
0.6952 Remote Similarity NPD5692 Phase 3
0.6939 Remote Similarity NPD6114 Approved
0.6939 Remote Similarity NPD6697 Approved
0.6939 Remote Similarity NPD6118 Approved
0.6939 Remote Similarity NPD6115 Approved

Structure

External Identifiers

PubChem CID   25019750
ChEMBL   CHEMBL496475
ZINC  

Physicochemical Properties

Molecular Weight:  416.22
ALogP:  0.284
MLogP:  3.44
XLogP:  2.43
# Rotatable Bonds:  10
Polar Surface Area:  89.9
# H-Bond Aceptor:  6
# 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