Natural Product: NPC477479

Natural Product ID:  NPC477479
Common Name:   Mahureone E
IUPAC Name:  
Synonyms:   Mahureone E
Molecular Formula:   C32H48O6
Standard InCHIKey:  YCKXZLNJJBVOJD-UHFFFAOYSA-N
Standard InCHI:  InChI=1S/C32H48O6/c1-10-12-22(17-24(33)34)26-29-32(16-15-20(5)6,18-23(31(26,8)9)14-13-19(3)4)28(36)25(30(37)38-29)27(35)21(7)11-2/h13,15,21-23,37H,10-12,14,16-18H2,1-9H3,(H,33,34)
Canonical SMILES:  CCCC(C1=C2OC(=C(C(=O)C2(CC=C(C)C)CC(C1(C)C)CC=C(C)C)C(=O)C(CC)C)O)CC(=O)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
NPO26156 Mahurea palustris Species Calophyllaceae Eukaryota leaves French Guiana 1996-OCT PMID[16038535]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT59 Individual Protein DNA polymerase beta Homo sapiens IC50 = 342000 nM 16038535

  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 NPC477479 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 NPC477478
0.8675 High Similarity NPC472684
0.8675 High Similarity NPC44963
0.8235 Intermediate Similarity NPC189237
0.8095 Intermediate Similarity NPC321514
0.8095 Intermediate Similarity NPC74410
0.8095 Intermediate Similarity NPC478247
0.8095 Intermediate Similarity NPC478246
0.8072 Intermediate Similarity NPC180886
0.8046 Intermediate Similarity NPC477373
0.8023 Intermediate Similarity NPC327002
0.8023 Intermediate Similarity NPC278459
0.8 Intermediate Similarity NPC327674
0.8 Intermediate Similarity NPC28319
0.7976 Intermediate Similarity NPC165711
0.7912 Intermediate Similarity NPC474570
0.7889 Intermediate Similarity NPC38885
0.7816 Intermediate Similarity NPC471898
0.7816 Intermediate Similarity NPC477372
0.7805 Intermediate Similarity NPC160817
0.7791 Intermediate Similarity NPC477371
0.7789 Intermediate Similarity NPC21681
0.7789 Intermediate Similarity NPC472675
0.7778 Intermediate Similarity NPC229717
0.7765 Intermediate Similarity NPC97377
0.7753 Intermediate Similarity NPC96095
0.7742 Intermediate Similarity NPC471329
0.7742 Intermediate Similarity NPC296114
0.7727 Intermediate Similarity NPC302661
0.7727 Intermediate Similarity NPC238991
0.7727 Intermediate Similarity NPC133391
0.7717 Intermediate Similarity NPC474700
0.7717 Intermediate Similarity NPC50070
0.7708 Intermediate Similarity NPC472732
0.7708 Intermediate Similarity NPC472731
0.7701 Intermediate Similarity NPC37038
0.7701 Intermediate Similarity NPC477057
0.7701 Intermediate Similarity NPC104545
0.7692 Intermediate Similarity NPC477476
0.7692 Intermediate Similarity NPC173089
0.7692 Intermediate Similarity NPC96496
0.7692 Intermediate Similarity NPC158141
0.7692 Intermediate Similarity NPC477475
0.7692 Intermediate Similarity NPC476409
0.7684 Intermediate Similarity NPC777
0.7677 Intermediate Similarity NPC291154
0.7674 Intermediate Similarity NPC110094
0.7674 Intermediate Similarity NPC280654
0.7674 Intermediate Similarity NPC260385
0.7674 Intermediate Similarity NPC179028
0.7667 Intermediate Similarity NPC474680
0.764 Intermediate Similarity NPC258985
0.764 Intermediate Similarity NPC105803
0.764 Intermediate Similarity NPC49019
0.764 Intermediate Similarity NPC102197
0.764 Intermediate Similarity NPC200752
0.7634 Intermediate Similarity NPC280592
0.7634 Intermediate Similarity NPC253177
0.7634 Intermediate Similarity NPC476437
0.7634 Intermediate Similarity NPC476369
0.7634 Intermediate Similarity NPC213636
0.7629 Intermediate Similarity NPC99657
0.7629 Intermediate Similarity NPC471331
0.7629 Intermediate Similarity NPC203388
0.7629 Intermediate Similarity NPC471330
0.7629 Intermediate Similarity NPC472687
0.7619 Intermediate Similarity NPC103958
0.7619 Intermediate Similarity NPC161923
0.7619 Intermediate Similarity NPC301065
0.7619 Intermediate Similarity NPC283908
0.7619 Intermediate Similarity NPC183503
0.7614 Intermediate Similarity NPC40228
0.7614 Intermediate Similarity NPC14044
0.7614 Intermediate Similarity NPC172309
0.7614 Intermediate Similarity NPC38350
0.7614 Intermediate Similarity NPC90055
0.7614 Intermediate Similarity NPC274050
0.7614 Intermediate Similarity NPC476988
0.7614 Intermediate Similarity NPC267691
0.7614 Intermediate Similarity NPC162632
0.7614 Intermediate Similarity NPC201912
0.7614 Intermediate Similarity NPC147066
0.7614 Intermediate Similarity NPC221647
0.7614 Intermediate Similarity NPC117960
0.7614 Intermediate Similarity NPC263272
0.7609 Intermediate Similarity NPC474511
0.7609 Intermediate Similarity NPC1753
0.7609 Intermediate Similarity NPC143025
0.7609 Intermediate Similarity NPC72397
0.7604 Intermediate Similarity NPC472734
0.7604 Intermediate Similarity NPC472733
0.7604 Intermediate Similarity NPC269492
0.7586 Intermediate Similarity NPC231431
0.7586 Intermediate Similarity NPC199595
0.7586 Intermediate Similarity NPC192329
0.7582 Intermediate Similarity NPC262085
0.7582 Intermediate Similarity NPC470345
0.7558 Intermediate Similarity NPC472300
0.7558 Intermediate Similarity NPC61952
0.7558 Intermediate Similarity NPC107039
0.7558 Intermediate Similarity NPC471899
0.7558 Intermediate Similarity NPC471897
0.7556 Intermediate Similarity NPC156981
0.7551 Intermediate Similarity NPC472728
0.7551 Intermediate Similarity NPC472727
0.7551 Intermediate Similarity NPC54705
0.7529 Intermediate Similarity NPC192540
0.7529 Intermediate Similarity NPC476795
0.7529 Intermediate Similarity NPC476844
0.7529 Intermediate Similarity NPC279666
0.7528 Intermediate Similarity NPC69101
0.7528 Intermediate Similarity NPC477269
0.7528 Intermediate Similarity NPC320514
0.7528 Intermediate Similarity NPC260956
0.7528 Intermediate Similarity NPC477271
0.7528 Intermediate Similarity NPC477270
0.7528 Intermediate Similarity NPC240302
0.7528 Intermediate Similarity NPC129080
0.7528 Intermediate Similarity NPC296367
0.7528 Intermediate Similarity NPC251779
0.7527 Intermediate Similarity NPC472676
0.7527 Intermediate Similarity NPC472688
0.7526 Intermediate Similarity NPC26413
0.7526 Intermediate Similarity NPC53844
0.7526 Intermediate Similarity NPC27105
0.75 Intermediate Similarity NPC103743
0.75 Intermediate Similarity NPC476079
0.75 Intermediate Similarity NPC136948
0.75 Intermediate Similarity NPC113370
0.75 Intermediate Similarity NPC26139
0.75 Intermediate Similarity NPC171722
0.75 Intermediate Similarity NPC471728
0.7474 Intermediate Similarity NPC263780
0.7474 Intermediate Similarity NPC476416
0.7473 Intermediate Similarity NPC8518
0.7473 Intermediate Similarity NPC29447
0.7473 Intermediate Similarity NPC241512
0.7473 Intermediate Similarity NPC76333
0.7473 Intermediate Similarity NPC474537
0.7473 Intermediate Similarity NPC6185
0.7473 Intermediate Similarity NPC132228
0.7473 Intermediate Similarity NPC263997
0.7471 Intermediate Similarity NPC198240
0.7471 Intermediate Similarity NPC275494
0.7471 Intermediate Similarity NPC471409
0.7449 Intermediate Similarity NPC472729
0.7449 Intermediate Similarity NPC472730
0.7449 Intermediate Similarity NPC177680
0.7449 Intermediate Similarity NPC153776
0.7447 Intermediate Similarity NPC51486
0.7444 Intermediate Similarity NPC70834
0.7444 Intermediate Similarity NPC69279
0.7444 Intermediate Similarity NPC168188
0.7444 Intermediate Similarity NPC83569
0.7444 Intermediate Similarity NPC473592
0.7444 Intermediate Similarity NPC470015
0.7444 Intermediate Similarity NPC97913
0.7442 Intermediate Similarity NPC309399
0.7442 Intermediate Similarity NPC89294
0.7442 Intermediate Similarity NPC69143
0.7439 Intermediate Similarity NPC290445
0.7439 Intermediate Similarity NPC36616
0.7423 Intermediate Similarity NPC98874
0.7419 Intermediate Similarity NPC474474
0.7416 Intermediate Similarity NPC229584
0.7416 Intermediate Similarity NPC116797
0.7416 Intermediate Similarity NPC142244
0.7416 Intermediate Similarity NPC55869
0.7416 Intermediate Similarity NPC14203
0.7412 Intermediate Similarity NPC3753
0.7412 Intermediate Similarity NPC241854
0.7412 Intermediate Similarity NPC251970
0.7412 Intermediate Similarity NPC166797
0.7412 Intermediate Similarity NPC237591
0.7412 Intermediate Similarity NPC306928
0.7412 Intermediate Similarity NPC476046
0.7396 Intermediate Similarity NPC474529
0.7396 Intermediate Similarity NPC476415
0.7396 Intermediate Similarity NPC78580
0.7396 Intermediate Similarity NPC184006
0.7396 Intermediate Similarity NPC74751
0.7396 Intermediate Similarity NPC124207
0.7396 Intermediate Similarity NPC23621
0.7391 Intermediate Similarity NPC322159
0.7391 Intermediate Similarity NPC475181
0.7391 Intermediate Similarity NPC325594
0.7391 Intermediate Similarity NPC73038
0.7391 Intermediate Similarity NPC198761
0.7391 Intermediate Similarity NPC324063
0.7391 Intermediate Similarity NPC476104
0.7386 Intermediate Similarity NPC196827
0.7386 Intermediate Similarity NPC82488
0.7386 Intermediate Similarity NPC16394
0.7386 Intermediate Similarity NPC274996
0.7386 Intermediate Similarity NPC308545
0.7374 Intermediate Similarity NPC473576
0.7374 Intermediate Similarity NPC475156
0.7368 Intermediate Similarity NPC470036
0.7368 Intermediate Similarity NPC473986
0.7368 Intermediate Similarity NPC230064

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC477479 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
0.75 Intermediate Similarity NPD4695 Discontinued
0.7396 Intermediate Similarity NPD7748 Approved
0.7368 Intermediate Similarity NPD6411 Approved
0.734 Intermediate Similarity NPD7285 Clinical (unspecified phase)
0.7188 Intermediate Similarity NPD7515 Phase 2
0.7172 Intermediate Similarity NPD7902 Approved
0.7158 Intermediate Similarity NPD6101 Approved
0.7158 Intermediate Similarity NPD5764 Clinical (unspecified phase)
0.7113 Intermediate Similarity NPD6399 Phase 3
0.7053 Intermediate Similarity NPD5737 Approved
0.7053 Intermediate Similarity NPD6672 Approved
0.7021 Intermediate Similarity NPD7334 Approved
0.7021 Intermediate Similarity NPD5330 Approved
0.7021 Intermediate Similarity NPD7146 Approved
0.7021 Intermediate Similarity NPD6684 Approved
0.7021 Intermediate Similarity NPD6409 Approved
0.7021 Intermediate Similarity NPD7521 Approved
0.7021 Intermediate Similarity NPD3574 Clinical (unspecified phase)
0.701 Intermediate Similarity NPD5284 Approved
0.701 Intermediate Similarity NPD5281 Approved
0.7 Intermediate Similarity NPD6083 Phase 2
0.7 Intermediate Similarity NPD6084 Phase 2
0.6988 Remote Similarity NPD7331 Phase 2
0.6979 Remote Similarity NPD6904 Approved
0.6979 Remote Similarity NPD6673 Approved
0.6979 Remote Similarity NPD6080 Approved
0.697 Remote Similarity NPD5695 Phase 3
0.6957 Remote Similarity NPD4221 Approved
0.6957 Remote Similarity NPD4223 Phase 3
0.6947 Remote Similarity NPD3573 Approved
0.6939 Remote Similarity NPD5779 Approved
0.6939 Remote Similarity NPD5778 Approved
0.6915 Remote Similarity NPD5329 Approved
0.69 Remote Similarity NPD7614 Phase 1
0.6889 Remote Similarity NPD3617 Approved
0.6875 Remote Similarity NPD7513 Clinical (unspecified phase)
0.6875 Remote Similarity NPD6903 Approved
0.6869 Remote Similarity NPD7900 Approved
0.6869 Remote Similarity NPD7901 Clinical (unspecified phase)
0.6867 Remote Similarity NPD7341 Phase 2
0.6842 Remote Similarity NPD6098 Approved
0.6837 Remote Similarity NPD6050 Approved
0.6809 Remote Similarity NPD3665 Phase 1
0.6809 Remote Similarity NPD3666 Approved
0.6809 Remote Similarity NPD3133 Approved
0.6809 Remote Similarity NPD4786 Approved
0.6809 Remote Similarity NPD4197 Approved
0.6804 Remote Similarity NPD5328 Approved
0.6774 Remote Similarity NPD4752 Clinical (unspecified phase)
0.6774 Remote Similarity NPD3667 Approved
0.6765 Remote Similarity NPD5696 Approved
0.6735 Remote Similarity NPD5692 Phase 3
0.6733 Remote Similarity NPD7732 Phase 3
0.6701 Remote Similarity NPD5208 Approved
0.6698 Remote Similarity NPD6675 Approved
0.6698 Remote Similarity NPD7128 Approved
0.6698 Remote Similarity NPD6402 Approved
0.6698 Remote Similarity NPD5739 Approved
0.6667 Remote Similarity NPD4690 Approved
0.6667 Remote Similarity NPD4623 Approved
0.6667 Remote Similarity NPD5279 Phase 3
0.6667 Remote Similarity NPD5690 Phase 2
0.6667 Remote Similarity NPD4688 Approved
0.6667 Remote Similarity NPD5205 Approved
0.6667 Remote Similarity NPD4694 Approved
0.6667 Remote Similarity NPD5369 Approved
0.6667 Remote Similarity NPD4689 Approved
0.6667 Remote Similarity NPD3618 Phase 1
0.6667 Remote Similarity NPD4138 Approved
0.6667 Remote Similarity NPD5280 Approved
0.6667 Remote Similarity NPD4519 Discontinued
0.6667 Remote Similarity NPD5694 Approved
0.6667 Remote Similarity NPD4693 Phase 3
0.6667 Remote Similarity NPD5693 Phase 1
0.6667 Remote Similarity NPD6079 Approved
0.6636 Remote Similarity NPD6882 Approved
0.6634 Remote Similarity NPD6356 Clinical (unspecified phase)
0.6633 Remote Similarity NPD4753 Phase 2
0.6574 Remote Similarity NPD6899 Approved
0.6574 Remote Similarity NPD7320 Approved
0.6574 Remote Similarity NPD6881 Approved
0.6566 Remote Similarity NPD5207 Approved
0.6566 Remote Similarity NPD5785 Approved
0.6556 Remote Similarity NPD8039 Approved
0.6545 Remote Similarity NPD8130 Phase 1
0.6535 Remote Similarity NPD5282 Discontinued
0.6522 Remote Similarity NPD5784 Clinical (unspecified phase)
0.6514 Remote Similarity NPD6372 Approved
0.6514 Remote Similarity NPD6373 Approved
0.6496 Remote Similarity NPD8328 Phase 3
0.6495 Remote Similarity NPD5786 Approved
0.6486 Remote Similarity NPD8297 Approved
0.6481 Remote Similarity NPD6412 Phase 2
0.6481 Remote Similarity NPD5697 Approved
0.6481 Remote Similarity NPD5701 Approved
0.6471 Remote Similarity NPD1698 Clinical (unspecified phase)
0.6458 Remote Similarity NPD3668 Phase 3
0.6455 Remote Similarity NPD7290 Approved
0.6455 Remote Similarity NPD6883 Approved
0.6455 Remote Similarity NPD7102 Approved
0.6422 Remote Similarity NPD6011 Approved
0.6422 Remote Similarity NPD6686 Approved
0.6421 Remote Similarity NPD4270 Approved
0.6421 Remote Similarity NPD4269 Approved
0.6421 Remote Similarity NPD6435 Approved
0.6421 Remote Similarity NPD4800 Clinical (unspecified phase)
0.6413 Remote Similarity NPD4756 Discovery
0.6408 Remote Similarity NPD5222 Approved
0.6408 Remote Similarity NPD7839 Suspended
0.6408 Remote Similarity NPD5220 Clinical (unspecified phase)
0.6408 Remote Similarity NPD4697 Phase 3
0.6408 Remote Similarity NPD5221 Approved
0.6404 Remote Similarity NPD7115 Discovery
0.64 Remote Similarity NPD4096 Approved
0.6396 Remote Similarity NPD6650 Approved
0.6396 Remote Similarity NPD6617 Approved
0.6396 Remote Similarity NPD6869 Approved
0.6396 Remote Similarity NPD6649 Approved
0.6396 Remote Similarity NPD6847 Approved
0.6396 Remote Similarity NPD6401 Clinical (unspecified phase)
0.6392 Remote Similarity NPD5363 Approved
0.6383 Remote Similarity NPD5368 Approved
0.6383 Remote Similarity NPD8259 Clinical (unspecified phase)
0.6373 Remote Similarity NPD6001 Approved
0.6364 Remote Similarity NPD4137 Phase 3
0.6364 Remote Similarity NPD4518 Approved
0.6364 Remote Similarity NPD6014 Approved
0.6364 Remote Similarity NPD6012 Approved
0.6364 Remote Similarity NPD6013 Approved
0.6354 Remote Similarity NPD4788 Approved
0.6354 Remote Similarity NPD7154 Phase 3
0.6346 Remote Similarity NPD5173 Approved
0.6346 Remote Similarity NPD4755 Approved
0.6339 Remote Similarity NPD6053 Discontinued
0.6337 Remote Similarity NPD8034 Phase 2
0.6337 Remote Similarity NPD8035 Phase 2
0.6333 Remote Similarity NPD8293 Discontinued
0.6316 Remote Similarity NPD4139 Approved
0.6316 Remote Similarity NPD4692 Approved
0.6311 Remote Similarity NPD5654 Approved
0.6311 Remote Similarity NPD5210 Approved
0.6311 Remote Similarity NPD4629 Approved
0.6303 Remote Similarity NPD7492 Approved
0.6292 Remote Similarity NPD4747 Approved
0.6292 Remote Similarity NPD4691 Approved
0.6289 Remote Similarity NPD6400 Clinical (unspecified phase)
0.6286 Remote Similarity NPD4225 Approved
0.6286 Remote Similarity NPD7638 Approved
0.6281 Remote Similarity NPD7736 Approved
0.6277 Remote Similarity NPD4195 Approved
0.6275 Remote Similarity NPD4202 Approved
0.6264 Remote Similarity NPD5733 Approved
0.6261 Remote Similarity NPD6009 Approved
0.625 Remote Similarity NPD6616 Approved
0.6239 Remote Similarity NPD6059 Approved
0.6239 Remote Similarity NPD6054 Approved
0.6235 Remote Similarity NPD2664 Clinical (unspecified phase)
0.6226 Remote Similarity NPD4696 Approved
0.6226 Remote Similarity NPD7639 Approved
0.6226 Remote Similarity NPD5286 Approved
0.6226 Remote Similarity NPD7640 Approved
0.6226 Remote Similarity NPD5285 Approved
0.6226 Remote Similarity NPD4700 Approved
0.6226 Remote Similarity NPD6404 Discontinued
0.6224 Remote Similarity NPD1694 Approved
0.6224 Remote Similarity NPD7520 Clinical (unspecified phase)
0.6222 Remote Similarity NPD5276 Approved
0.6216 Remote Similarity NPD8132 Clinical (unspecified phase)
0.6211 Remote Similarity NPD4252 Approved
0.6204 Remote Similarity NPD6052 Approved
0.6198 Remote Similarity NPD7078 Approved
0.619 Remote Similarity NPD5959 Approved
0.6186 Remote Similarity NPD5362 Discontinued
0.6176 Remote Similarity NPD7637 Suspended
0.6176 Remote Similarity NPD7983 Approved
0.6174 Remote Similarity NPD6868 Approved
0.6168 Remote Similarity NPD5223 Approved
0.614 Remote Similarity NPD4632 Approved
0.6134 Remote Similarity NPD6370 Approved
0.6121 Remote Similarity NPD8295 Clinical (unspecified phase)
0.6117 Remote Similarity NPD5133 Approved
0.6111 Remote Similarity NPD5224 Approved
0.6111 Remote Similarity NPD5211 Phase 2
0.6111 Remote Similarity NPD5226 Approved
0.6111 Remote Similarity NPD5225 Approved
0.6111 Remote Similarity NPD4633 Approved
0.6102 Remote Similarity NPD6319 Approved
0.6091 Remote Similarity NPD6008 Approved
0.6087 Remote Similarity NPD4058 Approved
0.6087 Remote Similarity NPD4687 Approved
0.6068 Remote Similarity NPD6335 Approved
0.6067 Remote Similarity NPD3621 Clinical (unspecified phase)
0.6058 Remote Similarity NPD5122 Clinical (unspecified phase)
0.6055 Remote Similarity NPD4754 Approved
0.6055 Remote Similarity NPD5175 Approved
0.6055 Remote Similarity NPD5174 Approved
0.605 Remote Similarity NPD6016 Approved
0.605 Remote Similarity NPD6015 Approved
0.6049 Remote Similarity NPD4266 Approved
0.6049 Remote Similarity NPD3194 Approved

Structure

External Identifiers

PubChem CID  
ChEMBL   CHEMBL486194
ZINC  

Physicochemical Properties

Molecular Weight:  528.35
ALogP:  2.9303
MLogP:  4.32
XLogP:  8.217
# Rotatable Bonds:  23
Polar Surface Area:  100.9
# H-Bond Aceptor:  6
# H-Bond Donor:  2
# Rings:  2
# Heavy Atoms:  38

Download Data

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