Natural Product: NPC143025

Natural Product ID:  NPC143025
Common Name:   Ericifolione
IUPAC Name:   (2R,3S,4S)-2-(2-hydroxy-3,3,5,5-tetramethyl-4,6-dioxocyclohexen-1-yl)-6,6,8,8-tetramethyl-4-(2-methylpropyl)-3-propan-2-yl-3,4-dihydro-2H-chromene-5,7-dione
Synonyms:   Ericifolione
Molecular Formula:   C30H44O6
Standard InCHIKey:  VXGYLHHZNVRJQJ-ABSDTBQOSA-N
Standard InCHI:  InChI=1S/C30H44O6/c1-14(2)13-16-17(15(3)4)20(19-22(32)28(7,8)25(34)29(9,10)23(19)33)36-24-18(16)21(31)27(5,6)26(35)30(24,11)12/h14-17,20,32H,13H2,1-12H3/t16-,17-,20+/m0/s1
Canonical SMILES:  CC(C[C@H]1[C@H](C(C)C)[C@@H](OC2=C1C(=O)C(C(=O)C2(C)C)(C)C)C1=C(O)C(C)(C)C(=O)C(C1=O)(C)C)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
NPO4040 Kunzea ericifolia Species Myrtaceae Eukaryota PMID[10543906]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT2787 Organism Phaedon cochleariae Phaedon cochleariae Activity = 97 % 19880317

  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 NPC143025 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
0.8652 High Similarity NPC113393
0.8427 Intermediate Similarity NPC307298
0.8261 Intermediate Similarity NPC271652
0.8144 Intermediate Similarity NPC80781
0.8105 Intermediate Similarity NPC239895
0.8105 Intermediate Similarity NPC478233
0.8043 Intermediate Similarity NPC280592
0.8043 Intermediate Similarity NPC253177
0.8043 Intermediate Similarity NPC213636
0.8022 Intermediate Similarity NPC53454
0.7957 Intermediate Similarity NPC471329
0.7957 Intermediate Similarity NPC296114
0.7935 Intermediate Similarity NPC280833
0.7912 Intermediate Similarity NPC103743
0.7912 Intermediate Similarity NPC220930
0.7912 Intermediate Similarity NPC272039
0.7912 Intermediate Similarity NPC476079
0.7912 Intermediate Similarity NPC113370
0.7907 Intermediate Similarity NPC478246
0.7907 Intermediate Similarity NPC478247
0.7826 Intermediate Similarity NPC478259
0.7826 Intermediate Similarity NPC478261
0.7826 Intermediate Similarity NPC478260
0.7812 Intermediate Similarity NPC472733
0.7812 Intermediate Similarity NPC472734
0.7789 Intermediate Similarity NPC477241
0.7789 Intermediate Similarity NPC184870
0.7766 Intermediate Similarity NPC472975
0.7755 Intermediate Similarity NPC54705
0.7732 Intermediate Similarity NPC53844
0.7732 Intermediate Similarity NPC27105
0.7732 Intermediate Similarity NPC472731
0.7732 Intermediate Similarity NPC472732
0.7717 Intermediate Similarity NPC38885
0.77 Intermediate Similarity NPC291154
0.7692 Intermediate Similarity NPC307112
0.7684 Intermediate Similarity NPC141447
0.7677 Intermediate Similarity NPC472637
0.7653 Intermediate Similarity NPC177680
0.7653 Intermediate Similarity NPC472730
0.7653 Intermediate Similarity NPC472687
0.7653 Intermediate Similarity NPC153776
0.7653 Intermediate Similarity NPC472729
0.7653 Intermediate Similarity NPC99657
0.7653 Intermediate Similarity NPC471331
0.7653 Intermediate Similarity NPC203388
0.7653 Intermediate Similarity NPC471330
0.764 Intermediate Similarity NPC472684
0.764 Intermediate Similarity NPC44963
0.7634 Intermediate Similarity NPC476796
0.7634 Intermediate Similarity NPC475001
0.7634 Intermediate Similarity NPC185059
0.7629 Intermediate Similarity NPC21681
0.7629 Intermediate Similarity NPC472675
0.7629 Intermediate Similarity NPC476797
0.7629 Intermediate Similarity NPC135576
0.7629 Intermediate Similarity NPC93271
0.7609 Intermediate Similarity NPC220478
0.7609 Intermediate Similarity NPC470345
0.7609 Intermediate Similarity NPC477479
0.7609 Intermediate Similarity NPC477478
0.7604 Intermediate Similarity NPC476415
0.7604 Intermediate Similarity NPC114162
0.7604 Intermediate Similarity NPC469819
0.7579 Intermediate Similarity NPC248913
0.7579 Intermediate Similarity NPC478243
0.7579 Intermediate Similarity NPC73457
0.7579 Intermediate Similarity NPC478244
0.7576 Intermediate Similarity NPC472728
0.7576 Intermediate Similarity NPC472727
0.7576 Intermediate Similarity NPC117685
0.7576 Intermediate Similarity NPC476933
0.7553 Intermediate Similarity NPC123912
0.7551 Intermediate Similarity NPC121339
0.7549 Intermediate Similarity NPC478052
0.75 Intermediate Similarity NPC90287
0.75 Intermediate Similarity NPC469657
0.75 Intermediate Similarity NPC93744
0.75 Intermediate Similarity NPC476888
0.75 Intermediate Similarity NPC315765
0.75 Intermediate Similarity NPC244456
0.75 Intermediate Similarity NPC472930
0.75 Intermediate Similarity NPC30321
0.7476 Intermediate Similarity NPC91034
0.7474 Intermediate Similarity NPC51486
0.7474 Intermediate Similarity NPC476369
0.7474 Intermediate Similarity NPC145666
0.7474 Intermediate Similarity NPC476437
0.7473 Intermediate Similarity NPC258985
0.7473 Intermediate Similarity NPC185256
0.7473 Intermediate Similarity NPC475083
0.7449 Intermediate Similarity NPC3772
0.7449 Intermediate Similarity NPC328371
0.7447 Intermediate Similarity NPC24816
0.7444 Intermediate Similarity NPC116797
0.7444 Intermediate Similarity NPC189237
0.7444 Intermediate Similarity NPC282293
0.7426 Intermediate Similarity NPC40918
0.7426 Intermediate Similarity NPC476890
0.7426 Intermediate Similarity NPC475320
0.7423 Intermediate Similarity NPC212812
0.7423 Intermediate Similarity NPC53685
0.7419 Intermediate Similarity NPC475181
0.7419 Intermediate Similarity NPC470346
0.7419 Intermediate Similarity NPC229717
0.74 Intermediate Similarity NPC476299
0.74 Intermediate Similarity NPC474012
0.7396 Intermediate Similarity NPC472978
0.7396 Intermediate Similarity NPC63748
0.7391 Intermediate Similarity NPC476412
0.7374 Intermediate Similarity NPC473574
0.7374 Intermediate Similarity NPC18319
0.7374 Intermediate Similarity NPC20078
0.7374 Intermediate Similarity NPC106557
0.7368 Intermediate Similarity NPC5509
0.7368 Intermediate Similarity NPC472973
0.7363 Intermediate Similarity NPC103486
0.7358 Intermediate Similarity NPC324683
0.7356 Intermediate Similarity NPC175079
0.7353 Intermediate Similarity NPC320154
0.7353 Intermediate Similarity NPC476889
0.7347 Intermediate Similarity NPC37646
0.7347 Intermediate Similarity NPC469995
0.7347 Intermediate Similarity NPC472932
0.7347 Intermediate Similarity NPC174948
0.7347 Intermediate Similarity NPC318282
0.7347 Intermediate Similarity NPC173875
0.734 Intermediate Similarity NPC478144
0.7333 Intermediate Similarity NPC279667
0.7327 Intermediate Similarity NPC471075
0.7327 Intermediate Similarity NPC472924
0.732 Intermediate Similarity NPC115021
0.732 Intermediate Similarity NPC69454
0.732 Intermediate Similarity NPC169343
0.732 Intermediate Similarity NPC470254
0.732 Intermediate Similarity NPC476416
0.7312 Intermediate Similarity NPC132228
0.7312 Intermediate Similarity NPC478245
0.7312 Intermediate Similarity NPC263997
0.7312 Intermediate Similarity NPC8518
0.73 Intermediate Similarity NPC147954
0.7292 Intermediate Similarity NPC472307
0.7292 Intermediate Similarity NPC230332
0.7292 Intermediate Similarity NPC477149
0.7292 Intermediate Similarity NPC198818
0.7292 Intermediate Similarity NPC469372
0.7292 Intermediate Similarity NPC477147
0.7292 Intermediate Similarity NPC161638
0.7282 Intermediate Similarity NPC213366
0.7273 Intermediate Similarity NPC249954
0.7273 Intermediate Similarity NPC92080
0.7273 Intermediate Similarity NPC243525
0.7273 Intermediate Similarity NPC40765
0.7273 Intermediate Similarity NPC7124
0.7273 Intermediate Similarity NPC240673
0.7273 Intermediate Similarity NPC17578
0.7264 Intermediate Similarity NPC478209
0.7264 Intermediate Similarity NPC37116
0.7264 Intermediate Similarity NPC29133
0.7264 Intermediate Similarity NPC473627
0.7264 Intermediate Similarity NPC470496
0.7263 Intermediate Similarity NPC474854
0.7263 Intermediate Similarity NPC143767
0.7263 Intermediate Similarity NPC131470
0.7255 Intermediate Similarity NPC163249
0.7255 Intermediate Similarity NPC56498
0.7255 Intermediate Similarity NPC235369
0.7253 Intermediate Similarity NPC14203
0.7253 Intermediate Similarity NPC229584
0.7253 Intermediate Similarity NPC478262
0.7253 Intermediate Similarity NPC40228
0.7245 Intermediate Similarity NPC474882
0.7245 Intermediate Similarity NPC472977
0.7245 Intermediate Similarity NPC148463
0.7245 Intermediate Similarity NPC472976
0.7245 Intermediate Similarity NPC474555
0.7245 Intermediate Similarity NPC65829
0.7238 Intermediate Similarity NPC220155
0.7234 Intermediate Similarity NPC470955
0.7234 Intermediate Similarity NPC322159
0.7234 Intermediate Similarity NPC472974
0.7234 Intermediate Similarity NPC194417
0.7228 Intermediate Similarity NPC198880
0.7228 Intermediate Similarity NPC205899
0.7228 Intermediate Similarity NPC174314
0.7222 Intermediate Similarity NPC469620
0.7222 Intermediate Similarity NPC308038
0.7222 Intermediate Similarity NPC475681
0.7222 Intermediate Similarity NPC150646
0.7216 Intermediate Similarity NPC190442
0.7216 Intermediate Similarity NPC177037
0.7216 Intermediate Similarity NPC107690
0.7216 Intermediate Similarity NPC36491
0.7216 Intermediate Similarity NPC472814
0.7212 Intermediate Similarity NPC478208
0.7212 Intermediate Similarity NPC471333
0.7212 Intermediate Similarity NPC266570
0.7212 Intermediate Similarity NPC60681
0.7212 Intermediate Similarity NPC471332
0.7204 Intermediate Similarity NPC227132

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC143025 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
0.7216 Intermediate Similarity NPD6411 Approved
0.7108 Intermediate Similarity NPD7341 Phase 2
0.701 Intermediate Similarity NPD6101 Approved
0.701 Intermediate Similarity NPD5328 Approved
0.701 Intermediate Similarity NPD5764 Clinical (unspecified phase)
0.6989 Remote Similarity NPD4800 Clinical (unspecified phase)
0.697 Remote Similarity NPD5779 Approved
0.697 Remote Similarity NPD5778 Approved
0.6957 Remote Similarity NPD4695 Discontinued
0.6923 Remote Similarity NPD3617 Approved
0.69 Remote Similarity NPD7748 Approved
0.6875 Remote Similarity NPD5279 Phase 3
0.6869 Remote Similarity NPD6079 Approved
0.6842 Remote Similarity NPD3665 Phase 1
0.6842 Remote Similarity NPD3666 Approved
0.6842 Remote Similarity NPD3133 Approved
0.6832 Remote Similarity NPD1698 Clinical (unspecified phase)
0.6818 Remote Similarity NPD6053 Discontinued
0.6809 Remote Similarity NPD4752 Clinical (unspecified phase)
0.6771 Remote Similarity NPD1694 Approved
0.6768 Remote Similarity NPD5785 Approved
0.6733 Remote Similarity NPD5282 Discontinued
0.6726 Remote Similarity NPD7115 Discovery
0.6701 Remote Similarity NPD6684 Approved
0.6701 Remote Similarity NPD7521 Approved
0.6701 Remote Similarity NPD5330 Approved
0.6701 Remote Similarity NPD7146 Approved
0.6701 Remote Similarity NPD3574 Clinical (unspecified phase)
0.6701 Remote Similarity NPD7334 Approved
0.6701 Remote Similarity NPD6409 Approved
0.6701 Remote Similarity NPD3618 Phase 1
0.67 Remote Similarity NPD7515 Phase 2
0.6699 Remote Similarity NPD7902 Approved
0.6667 Remote Similarity NPD5695 Phase 3
0.6667 Remote Similarity NPD7285 Clinical (unspecified phase)
0.6667 Remote Similarity NPD4786 Approved
0.6635 Remote Similarity NPD7638 Approved
0.6634 Remote Similarity NPD6399 Phase 3
0.6632 Remote Similarity NPD3667 Approved
0.6628 Remote Similarity NPD7331 Phase 2
0.6602 Remote Similarity NPD5221 Approved
0.6602 Remote Similarity NPD5220 Clinical (unspecified phase)
0.6602 Remote Similarity NPD5222 Approved
0.6602 Remote Similarity NPD4697 Phase 3
0.6574 Remote Similarity NPD5739 Approved
0.6574 Remote Similarity NPD7128 Approved
0.6574 Remote Similarity NPD6675 Approved
0.6574 Remote Similarity NPD6402 Approved
0.6571 Remote Similarity NPD7639 Approved
0.6571 Remote Similarity NPD7640 Approved
0.6566 Remote Similarity NPD6672 Approved
0.6566 Remote Similarity NPD5737 Approved
0.6566 Remote Similarity NPD7513 Clinical (unspecified phase)
0.6566 Remote Similarity NPD6903 Approved
0.6538 Remote Similarity NPD5173 Approved
0.6538 Remote Similarity NPD6084 Phase 2
0.6538 Remote Similarity NPD4755 Approved
0.6538 Remote Similarity NPD6083 Phase 2
0.6531 Remote Similarity NPD4519 Discontinued
0.6531 Remote Similarity NPD4623 Approved
0.65 Remote Similarity NPD4753 Phase 2
0.6476 Remote Similarity NPD4225 Approved
0.6458 Remote Similarity NPD4221 Approved
0.6458 Remote Similarity NPD4223 Phase 3
0.6455 Remote Similarity NPD6881 Approved
0.6455 Remote Similarity NPD7320 Approved
0.6455 Remote Similarity NPD6686 Approved
0.6455 Remote Similarity NPD6899 Approved
0.6449 Remote Similarity NPD5211 Phase 2
0.6449 Remote Similarity NPD7632 Discontinued
0.6437 Remote Similarity NPD3704 Approved
0.6429 Remote Similarity NPD5329 Approved
0.6415 Remote Similarity NPD4700 Approved
0.6415 Remote Similarity NPD5285 Approved
0.6415 Remote Similarity NPD4696 Approved
0.6415 Remote Similarity NPD5286 Approved
0.6408 Remote Similarity NPD7900 Approved
0.6408 Remote Similarity NPD7901 Clinical (unspecified phase)
0.6396 Remote Similarity NPD6372 Approved
0.6396 Remote Similarity NPD6373 Approved
0.6396 Remote Similarity NPD4061 Clinical (unspecified phase)
0.6373 Remote Similarity NPD5693 Phase 1
0.6364 Remote Similarity NPD5280 Approved
0.6364 Remote Similarity NPD5786 Approved
0.6364 Remote Similarity NPD5697 Approved
0.6364 Remote Similarity NPD5690 Phase 2
0.6364 Remote Similarity NPD4694 Approved
0.6364 Remote Similarity NPD5701 Approved
0.6355 Remote Similarity NPD5223 Approved
0.6354 Remote Similarity NPD4139 Approved
0.6354 Remote Similarity NPD4692 Approved
0.6339 Remote Similarity NPD7290 Approved
0.6339 Remote Similarity NPD6883 Approved
0.6339 Remote Similarity NPD5955 Clinical (unspecified phase)
0.6339 Remote Similarity NPD7102 Approved
0.633 Remote Similarity NPD5141 Approved
0.6327 Remote Similarity NPD3668 Phase 3
0.6327 Remote Similarity NPD4197 Approved
0.6321 Remote Similarity NPD5696 Approved
0.6311 Remote Similarity NPD4202 Approved
0.6306 Remote Similarity NPD6011 Approved
0.63 Remote Similarity NPD3573 Approved
0.6296 Remote Similarity NPD5224 Approved
0.6296 Remote Similarity NPD5225 Approved
0.6296 Remote Similarity NPD4633 Approved
0.6296 Remote Similarity NPD5226 Approved
0.6289 Remote Similarity NPD5209 Approved
0.6286 Remote Similarity NPD7614 Phase 1
0.6283 Remote Similarity NPD6649 Approved
0.6283 Remote Similarity NPD8130 Phase 1
0.6283 Remote Similarity NPD6869 Approved
0.6283 Remote Similarity NPD6401 Clinical (unspecified phase)
0.6283 Remote Similarity NPD6650 Approved
0.6283 Remote Similarity NPD6617 Approved
0.6283 Remote Similarity NPD6847 Approved
0.6275 Remote Similarity NPD6698 Approved
0.6275 Remote Similarity NPD46 Approved
0.6263 Remote Similarity NPD5363 Approved
0.625 Remote Similarity NPD6012 Approved
0.625 Remote Similarity NPD8259 Clinical (unspecified phase)
0.625 Remote Similarity NPD6014 Approved
0.625 Remote Similarity NPD6013 Approved
0.6239 Remote Similarity NPD5174 Approved
0.6239 Remote Similarity NPD4754 Approved
0.6239 Remote Similarity NPD5175 Approved
0.6237 Remote Similarity NPD8039 Approved
0.6228 Remote Similarity NPD8297 Approved
0.6228 Remote Similarity NPD6882 Approved
0.6224 Remote Similarity NPD6110 Phase 1
0.6224 Remote Similarity NPD4788 Approved
0.6224 Remote Similarity NPD7154 Phase 3
0.6216 Remote Similarity NPD6412 Phase 2
0.6214 Remote Similarity NPD5281 Approved
0.6214 Remote Similarity NPD5284 Approved
0.6214 Remote Similarity NPD6050 Approved
0.6211 Remote Similarity NPD5784 Clinical (unspecified phase)
0.62 Remote Similarity NPD4688 Approved
0.62 Remote Similarity NPD4138 Approved
0.62 Remote Similarity NPD5205 Approved
0.62 Remote Similarity NPD4689 Approved
0.62 Remote Similarity NPD4690 Approved
0.62 Remote Similarity NPD4693 Phase 3
0.6195 Remote Similarity NPD4634 Approved
0.6195 Remote Similarity NPD6371 Approved
0.619 Remote Similarity NPD4629 Approved
0.619 Remote Similarity NPD5210 Approved
0.6176 Remote Similarity NPD6080 Approved
0.6176 Remote Similarity NPD6904 Approved
0.6176 Remote Similarity NPD6673 Approved
0.6162 Remote Similarity NPD6400 Clinical (unspecified phase)
0.6161 Remote Similarity NPD5345 Clinical (unspecified phase)
0.616 Remote Similarity NPD7260 Phase 2
0.6134 Remote Similarity NPD6054 Approved
0.6134 Remote Similarity NPD6059 Approved
0.6132 Remote Similarity NPD7732 Phase 3
0.6126 Remote Similarity NPD4768 Approved
0.6126 Remote Similarity NPD4767 Approved
0.6122 Remote Similarity NPD4270 Approved
0.6122 Remote Similarity NPD4269 Approved
0.6122 Remote Similarity NPD6435 Approved
0.6117 Remote Similarity NPD5692 Phase 3
0.6117 Remote Similarity NPD4096 Approved
0.6111 Remote Similarity NPD6845 Suspended
0.608 Remote Similarity NPD6914 Discontinued
0.6078 Remote Similarity NPD4518 Approved
0.6071 Remote Similarity NPD5954 Clinical (unspecified phase)
0.6068 Remote Similarity NPD6868 Approved
0.6058 Remote Similarity NPD5694 Approved
0.6058 Remote Similarity NPD7983 Approved
0.6038 Remote Similarity NPD6356 Clinical (unspecified phase)
0.6033 Remote Similarity NPD6370 Approved
0.602 Remote Similarity NPD5369 Approved
0.6019 Remote Similarity NPD6051 Approved
0.6018 Remote Similarity NPD5128 Approved
0.6018 Remote Similarity NPD5168 Approved
0.6018 Remote Similarity NPD4729 Approved
0.6018 Remote Similarity NPD4730 Approved
0.6 Remote Similarity NPD7319 Approved
0.6 Remote Similarity NPD5133 Approved
0.6 Remote Similarity NPD6319 Approved
0.5984 Remote Similarity NPD8328 Phase 3
0.5982 Remote Similarity NPD6008 Approved
0.5981 Remote Similarity NPD7839 Suspended
0.5966 Remote Similarity NPD6335 Approved
0.5965 Remote Similarity NPD8132 Clinical (unspecified phase)
0.5962 Remote Similarity NPD5207 Approved
0.5957 Remote Similarity NPD5733 Approved
0.595 Remote Similarity NPD6016 Approved
0.595 Remote Similarity NPD6015 Approved
0.5941 Remote Similarity NPD1696 Phase 3
0.5938 Remote Similarity NPD4756 Discovery
0.5935 Remote Similarity NPD7492 Approved
0.5932 Remote Similarity NPD6274 Approved
0.5929 Remote Similarity NPD7899 Clinical (unspecified phase)
0.5922 Remote Similarity NPD5208 Approved
0.5918 Remote Similarity NPD4252 Approved
0.5918 Remote Similarity NPD5368 Approved
0.5917 Remote Similarity NPD7100 Approved
0.5917 Remote Similarity NPD7101 Approved
0.5914 Remote Similarity NPD5276 Approved

Structure

External Identifiers

PubChem CID   10815254
ChEMBL   CHEMBL516926
ZINC  

Physicochemical Properties

Molecular Weight:  500.31
ALogP:  2.7994
MLogP:  4.1
XLogP:  5.686
# Rotatable Bonds:  17
Polar Surface Area:  97.74
# H-Bond Aceptor:  6
# H-Bond Donor:  1
# Rings:  3
# Heavy Atoms:  36

Download Data

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