Natural Product: NPC470919

Natural Product ID:  NPC470919
Common Name:   Altissinol B
IUPAC Name:  
Synonyms:   Altissinol B
Molecular Formula:   C25H34O9
Standard InCHIKey:  WGNVNSPRXOUTKL-WCZQPVQQSA-N
Standard InCHI:  InChI=1S/C25H34O9/c1-6-10(2)20(29)34-17-16-12(4)18(27)25(31)22-23(5)13(11(3)7-14(26)19(23)28)8-15(33-21(17)30)24(16,22)9-32-25/h7,10,13-19,22,26-28,31H,4,6,8-9H2,1-3,5H3/t10?,13-,14-,15+,16+,17+,18+,19+,22+,23+,24-,25+/m0/s1
Canonical SMILES:  CCC(C(=O)O[C@H]1C(=O)O[C@H]2[C@]34[C@@H]1C(=C)[C@@H](O)[C@]([C@@H]4[C@@]1([C@@H](C2)C(=C[C@@H]([C@H]1O)O)C)C)(OC3)O)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
NPO15443 Ailanthus altissima Species Simaroubaceae Eukaryota PMID[23290052]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT2 Others Unspecified IC50 = 2360 nM 11975502
NPT65 Cell Line HepG2 Homo sapiens IC50 > 50000 nM 20498317
NPT65 Cell Line HepG2 Homo sapiens IC50 = 1220 nM 17698618

  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 NPC470919 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 NPC469877
0.9906 High Similarity NPC470628
0.9906 High Similarity NPC259306
0.9906 High Similarity NPC474046
0.981 High Similarity NPC302146
0.9537 High Similarity NPC474734
0.9524 High Similarity NPC472534
0.9524 High Similarity NPC143706
0.9444 High Similarity NPC18547
0.9444 High Similarity NPC474906
0.9369 High Similarity NPC109607
0.9369 High Similarity NPC107338
0.9358 High Similarity NPC235539
0.9358 High Similarity NPC134869
0.9358 High Similarity NPC152199
0.9352 High Similarity NPC51978
0.9279 High Similarity NPC475775
0.9279 High Similarity NPC476529
0.9273 High Similarity NPC473590
0.9273 High Similarity NPC473968
0.9259 High Similarity NPC289312
0.9259 High Similarity NPC11252
0.9211 High Similarity NPC470922
0.9189 High Similarity NPC297179
0.9189 High Similarity NPC470776
0.9167 High Similarity NPC201992
0.9107 High Similarity NPC122971
0.9099 High Similarity NPC470775
0.9099 High Similarity NPC176513
0.9027 High Similarity NPC112038
0.9009 High Similarity NPC96312
0.9009 High Similarity NPC40632
0.9009 High Similarity NPC328374
0.9009 High Similarity NPC251236
0.8981 High Similarity NPC141350
0.8957 High Similarity NPC67251
0.8919 High Similarity NPC472274
0.8919 High Similarity NPC473798
0.8889 High Similarity NPC293850
0.885 High Similarity NPC188667
0.885 High Similarity NPC204552
0.8829 High Similarity NPC49451
0.8796 High Similarity NPC230541
0.8761 High Similarity NPC309433
0.8729 High Similarity NPC470780
0.8718 High Similarity NPC476729
0.8684 High Similarity NPC251310
0.8684 High Similarity NPC17772
0.8673 High Similarity NPC179626
0.8632 High Similarity NPC18945
0.8632 High Similarity NPC478066
0.8632 High Similarity NPC91693
0.8632 High Similarity NPC105926
0.8632 High Similarity NPC265557
0.8624 High Similarity NPC293512
0.8624 High Similarity NPC3316
0.8624 High Similarity NPC144854
0.8621 High Similarity NPC477046
0.8621 High Similarity NPC102822
0.8609 High Similarity NPC469488
0.8596 High Similarity NPC474654
0.8596 High Similarity NPC470854
0.8596 High Similarity NPC97908
0.8596 High Similarity NPC122033
0.8596 High Similarity NPC287343
0.8596 High Similarity NPC470171
0.8584 High Similarity NPC475633
0.8571 High Similarity NPC174836
0.8571 High Similarity NPC474516
0.8559 High Similarity NPC24651
0.8559 High Similarity NPC470477
0.8547 High Similarity NPC249848
0.8547 High Similarity NPC312833
0.8547 High Similarity NPC235438
0.8547 High Similarity NPC40775
0.8547 High Similarity NPC107966
0.8545 High Similarity NPC277017
0.8545 High Similarity NPC154608
0.8545 High Similarity NPC192813
0.8532 High Similarity NPC127609
0.8522 High Similarity NPC286347
0.8512 High Similarity NPC262796
0.8512 High Similarity NPC329993
0.8512 High Similarity NPC134914
0.8512 High Similarity NPC172374
0.8512 High Similarity NPC475377
0.8512 High Similarity NPC173435
0.8512 High Similarity NPC45346
0.8512 High Similarity NPC475167
0.8512 High Similarity NPC264566
0.8512 High Similarity NPC478065
0.8512 High Similarity NPC301639
0.8512 High Similarity NPC478064
0.8512 High Similarity NPC476074
0.85 High Similarity NPC188291
0.8496 Intermediate Similarity NPC7921
0.8496 Intermediate Similarity NPC208998
0.8482 Intermediate Similarity NPC250481
0.8482 Intermediate Similarity NPC263827
0.8482 Intermediate Similarity NPC285410
0.8475 Intermediate Similarity NPC235405
0.8475 Intermediate Similarity NPC30735
0.8475 Intermediate Similarity NPC281148
0.8462 Intermediate Similarity NPC75417
0.8462 Intermediate Similarity NPC202051
0.8462 Intermediate Similarity NPC470779
0.8448 Intermediate Similarity NPC309780
0.8448 Intermediate Similarity NPC469945
0.8448 Intermediate Similarity NPC11551
0.8448 Intermediate Similarity NPC39211
0.8448 Intermediate Similarity NPC114441
0.8448 Intermediate Similarity NPC157868
0.8448 Intermediate Similarity NPC473884
0.8448 Intermediate Similarity NPC475171
0.8448 Intermediate Similarity NPC214484
0.8448 Intermediate Similarity NPC208381
0.8448 Intermediate Similarity NPC180550
0.8448 Intermediate Similarity NPC192791
0.8448 Intermediate Similarity NPC470777
0.8448 Intermediate Similarity NPC6377
0.8448 Intermediate Similarity NPC35405
0.8448 Intermediate Similarity NPC472949
0.8443 Intermediate Similarity NPC478153
0.8443 Intermediate Similarity NPC478152
0.8443 Intermediate Similarity NPC478150
0.8443 Intermediate Similarity NPC102316
0.844 Intermediate Similarity NPC258532
0.844 Intermediate Similarity NPC475036
0.8435 Intermediate Similarity NPC471547
0.8435 Intermediate Similarity NPC224121
0.8421 Intermediate Similarity NPC117712
0.8421 Intermediate Similarity NPC181145
0.8421 Intermediate Similarity NPC243354
0.8407 Intermediate Similarity NPC116794
0.8407 Intermediate Similarity NPC472002
0.8393 Intermediate Similarity NPC220984
0.8393 Intermediate Similarity NPC110139
0.8393 Intermediate Similarity NPC274507
0.8393 Intermediate Similarity NPC199457
0.8393 Intermediate Similarity NPC75747
0.8393 Intermediate Similarity NPC83005
0.8393 Intermediate Similarity NPC108709
0.8393 Intermediate Similarity NPC68419
0.8393 Intermediate Similarity NPC102914
0.8393 Intermediate Similarity NPC7870
0.839 Intermediate Similarity NPC473231
0.839 Intermediate Similarity NPC222688
0.839 Intermediate Similarity NPC213952
0.8376 Intermediate Similarity NPC471406
0.8376 Intermediate Similarity NPC472257
0.8376 Intermediate Similarity NPC294112
0.8374 Intermediate Similarity NPC478151
0.8364 Intermediate Similarity NPC102352
0.8362 Intermediate Similarity NPC276758
0.8362 Intermediate Similarity NPC18233
0.8361 Intermediate Similarity NPC478155
0.8361 Intermediate Similarity NPC477197
0.8361 Intermediate Similarity NPC25998
0.8348 Intermediate Similarity NPC16081
0.8348 Intermediate Similarity NPC173686
0.8347 Intermediate Similarity NPC329923
0.8347 Intermediate Similarity NPC477078
0.8347 Intermediate Similarity NPC477075
0.8347 Intermediate Similarity NPC475281
0.8333 Intermediate Similarity NPC225049
0.8333 Intermediate Similarity NPC194273
0.8333 Intermediate Similarity NPC269315
0.8333 Intermediate Similarity NPC271138
0.8333 Intermediate Similarity NPC285091
0.8333 Intermediate Similarity NPC470218
0.8333 Intermediate Similarity NPC474410
0.8333 Intermediate Similarity NPC311592
0.8333 Intermediate Similarity NPC293658
0.8333 Intermediate Similarity NPC75167
0.832 Intermediate Similarity NPC251998
0.8319 Intermediate Similarity NPC146945
0.8319 Intermediate Similarity NPC171888
0.8319 Intermediate Similarity NPC30397
0.8319 Intermediate Similarity NPC108748
0.8319 Intermediate Similarity NPC179434
0.8319 Intermediate Similarity NPC191763
0.8319 Intermediate Similarity NPC188738
0.8319 Intermediate Similarity NPC157476
0.8319 Intermediate Similarity NPC257211
0.8319 Intermediate Similarity NPC473481
0.8319 Intermediate Similarity NPC227397
0.8319 Intermediate Similarity NPC471243
0.8319 Intermediate Similarity NPC211798
0.8319 Intermediate Similarity NPC235841
0.8319 Intermediate Similarity NPC475668
0.8319 Intermediate Similarity NPC475480
0.8319 Intermediate Similarity NPC297208
0.8319 Intermediate Similarity NPC473921
0.8306 Intermediate Similarity NPC15215
0.8306 Intermediate Similarity NPC242486
0.8305 Intermediate Similarity NPC223301
0.8305 Intermediate Similarity NPC104372
0.8305 Intermediate Similarity NPC22956
0.8305 Intermediate Similarity NPC86222
0.8305 Intermediate Similarity NPC31193

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC470919 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
0.8276 Intermediate Similarity NPD8295 Clinical (unspecified phase)
0.8167 Intermediate Similarity NPD8328 Phase 3
0.7982 Intermediate Similarity NPD8132 Clinical (unspecified phase)
0.7895 Intermediate Similarity NPD6686 Approved
0.7886 Intermediate Similarity NPD7507 Approved
0.7805 Intermediate Similarity NPD7492 Approved
0.7778 Intermediate Similarity NPD6882 Approved
0.7778 Intermediate Similarity NPD8297 Approved
0.7769 Intermediate Similarity NPD6319 Approved
0.7769 Intermediate Similarity NPD6054 Approved
0.7769 Intermediate Similarity NPD6059 Approved
0.776 Intermediate Similarity NPD7736 Approved
0.7742 Intermediate Similarity NPD6616 Approved
0.7739 Intermediate Similarity NPD5345 Clinical (unspecified phase)
0.7719 Intermediate Similarity NPD7128 Approved
0.7719 Intermediate Similarity NPD5739 Approved
0.7719 Intermediate Similarity NPD6675 Approved
0.7719 Intermediate Similarity NPD6402 Approved
0.7705 Intermediate Similarity NPD8517 Approved
0.7705 Intermediate Similarity NPD8515 Approved
0.7705 Intermediate Similarity NPD8516 Approved
0.7705 Intermediate Similarity NPD8513 Phase 3
0.7698 Intermediate Similarity NPD7319 Approved
0.768 Intermediate Similarity NPD8293 Discontinued
0.768 Intermediate Similarity NPD7078 Approved
0.7672 Intermediate Similarity NPD6373 Approved
0.7672 Intermediate Similarity NPD6372 Approved
0.7667 Intermediate Similarity NPD6009 Approved
0.7652 Intermediate Similarity NPD6412 Phase 2
0.7642 Intermediate Similarity NPD6370 Approved
0.7586 Intermediate Similarity NPD6899 Approved
0.7586 Intermediate Similarity NPD6881 Approved
0.7586 Intermediate Similarity NPD7320 Approved
0.7563 Intermediate Similarity NPD4632 Approved
0.7561 Intermediate Similarity NPD6016 Approved
0.7561 Intermediate Similarity NPD6015 Approved
0.7542 Intermediate Similarity NPD6650 Approved
0.7542 Intermediate Similarity NPD8413 Clinical (unspecified phase)
0.7542 Intermediate Similarity NPD6649 Approved
0.7521 Intermediate Similarity NPD4061 Clinical (unspecified phase)
0.75 Intermediate Similarity NPD5701 Approved
0.75 Intermediate Similarity NPD5988 Approved
0.75 Intermediate Similarity NPD5697 Approved
0.7458 Intermediate Similarity NPD7102 Approved
0.7458 Intermediate Similarity NPD6883 Approved
0.7458 Intermediate Similarity NPD7290 Approved
0.7434 Intermediate Similarity NPD7640 Approved
0.7434 Intermediate Similarity NPD7639 Approved
0.7417 Intermediate Similarity NPD8133 Approved
0.7398 Intermediate Similarity NPD7516 Approved
0.7395 Intermediate Similarity NPD8130 Phase 1
0.7395 Intermediate Similarity NPD6847 Approved
0.7395 Intermediate Similarity NPD6869 Approved
0.7395 Intermediate Similarity NPD6617 Approved
0.7377 Intermediate Similarity NPD7115 Discovery
0.7373 Intermediate Similarity NPD6014 Approved
0.7373 Intermediate Similarity NPD6013 Approved
0.7373 Intermediate Similarity NPD6012 Approved
0.7345 Intermediate Similarity NPD4225 Approved
0.7345 Intermediate Similarity NPD7638 Approved
0.7317 Intermediate Similarity NPD7327 Approved
0.7317 Intermediate Similarity NPD7328 Approved
0.7311 Intermediate Similarity NPD5955 Clinical (unspecified phase)
0.7302 Intermediate Similarity NPD7604 Phase 2
0.7288 Intermediate Similarity NPD6011 Approved
0.728 Intermediate Similarity NPD8033 Approved
0.728 Intermediate Similarity NPD5983 Phase 2
0.7266 Intermediate Similarity NPD8074 Phase 3
0.725 Intermediate Similarity NPD6401 Clinical (unspecified phase)
0.7209 Intermediate Similarity NPD6033 Approved
0.7207 Intermediate Similarity NPD5779 Approved
0.7207 Intermediate Similarity NPD6399 Phase 3
0.7207 Intermediate Similarity NPD5778 Approved
0.72 Intermediate Similarity NPD8294 Approved
0.72 Intermediate Similarity NPD8377 Approved
0.7188 Intermediate Similarity NPD6336 Discontinued
0.7155 Intermediate Similarity NPD5211 Phase 2
0.7143 Intermediate Similarity NPD8380 Approved
0.7143 Intermediate Similarity NPD8335 Approved
0.7143 Intermediate Similarity NPD7503 Approved
0.7143 Intermediate Similarity NPD8379 Approved
0.7143 Intermediate Similarity NPD8296 Approved
0.7143 Intermediate Similarity NPD7748 Approved
0.7143 Intermediate Similarity NPD6921 Approved
0.7143 Intermediate Similarity NPD8378 Approved
0.7119 Intermediate Similarity NPD6008 Approved
0.7117 Intermediate Similarity NPD7983 Approved
0.7117 Intermediate Similarity NPD7515 Phase 2
0.7117 Intermediate Similarity NPD6411 Approved
0.7105 Intermediate Similarity NPD6084 Phase 2
0.7105 Intermediate Similarity NPD6083 Phase 2
0.7105 Intermediate Similarity NPD4755 Approved
0.7105 Intermediate Similarity NPD7902 Approved
0.7059 Intermediate Similarity NPD5954 Clinical (unspecified phase)
0.7034 Intermediate Similarity NPD5141 Approved
0.7027 Intermediate Similarity NPD46 Approved
0.7027 Intermediate Similarity NPD6698 Approved
0.7025 Intermediate Similarity NPD4634 Approved
0.7016 Intermediate Similarity NPD6274 Approved
0.6984 Remote Similarity NPD7101 Approved
0.6984 Remote Similarity NPD7100 Approved
0.6983 Remote Similarity NPD5286 Approved
0.6983 Remote Similarity NPD5285 Approved
0.6983 Remote Similarity NPD4700 Approved
0.6983 Remote Similarity NPD4696 Approved
0.6937 Remote Similarity NPD5764 Clinical (unspecified phase)
0.6937 Remote Similarity NPD5328 Approved
0.6937 Remote Similarity NPD6101 Approved
0.6905 Remote Similarity NPD6335 Approved
0.688 Remote Similarity NPD6868 Approved
0.6875 Remote Similarity NPD6908 Approved
0.6875 Remote Similarity NPD6909 Approved
0.687 Remote Similarity NPD5220 Clinical (unspecified phase)
0.687 Remote Similarity NPD5222 Approved
0.687 Remote Similarity NPD5221 Approved
0.687 Remote Similarity NPD4697 Phase 3
0.6864 Remote Similarity NPD5224 Approved
0.6864 Remote Similarity NPD7632 Discontinued
0.6864 Remote Similarity NPD5225 Approved
0.6864 Remote Similarity NPD4633 Approved
0.6864 Remote Similarity NPD5226 Approved
0.6847 Remote Similarity NPD5737 Approved
0.6847 Remote Similarity NPD6672 Approved
0.6842 Remote Similarity NPD7900 Approved
0.6842 Remote Similarity NPD7901 Clinical (unspecified phase)
0.6833 Remote Similarity NPD4768 Approved
0.6833 Remote Similarity NPD4767 Approved
0.6825 Remote Similarity NPD6317 Approved
0.6814 Remote Similarity NPD8034 Phase 2
0.6814 Remote Similarity NPD6079 Approved
0.6814 Remote Similarity NPD8035 Phase 2
0.681 Remote Similarity NPD5173 Approved
0.6807 Remote Similarity NPD5175 Approved
0.6807 Remote Similarity NPD5174 Approved
0.6791 Remote Similarity NPD7260 Phase 2
0.6789 Remote Similarity NPD4786 Approved
0.6783 Remote Similarity NPD5695 Phase 3
0.678 Remote Similarity NPD5223 Approved
0.678 Remote Similarity NPD5344 Discontinued
0.6774 Remote Similarity NPD6053 Discontinued
0.6772 Remote Similarity NPD6313 Approved
0.6772 Remote Similarity NPD6314 Approved
0.6769 Remote Similarity NPD6067 Discontinued
0.6759 Remote Similarity NPD3667 Approved
0.6757 Remote Similarity NPD3573 Approved
0.6752 Remote Similarity NPD5696 Approved
0.675 Remote Similarity NPD8170 Clinical (unspecified phase)
0.6727 Remote Similarity NPD7520 Clinical (unspecified phase)
0.6724 Remote Similarity NPD7839 Suspended
0.6721 Remote Similarity NPD4730 Approved
0.6721 Remote Similarity NPD4729 Approved
0.6715 Remote Similarity NPD8387 Clinical (unspecified phase)
0.6667 Remote Similarity NPD4754 Approved
0.6667 Remote Similarity NPD3618 Phase 1
0.6667 Remote Similarity NPD7637 Suspended
0.6639 Remote Similarity NPD7899 Clinical (unspecified phase)
0.6618 Remote Similarity NPD6845 Suspended
0.6615 Remote Similarity NPD6291 Clinical (unspecified phase)
0.6613 Remote Similarity NPD5249 Phase 3
0.6613 Remote Similarity NPD5247 Approved
0.6613 Remote Similarity NPD5251 Approved
0.6613 Remote Similarity NPD5250 Approved
0.6613 Remote Similarity NPD5248 Approved
0.6607 Remote Similarity NPD7524 Approved
0.6585 Remote Similarity NPD5128 Approved
0.6549 Remote Similarity NPD7513 Clinical (unspecified phase)
0.6522 Remote Similarity NPD8415 Approved
0.6518 Remote Similarity NPD6409 Approved
0.6518 Remote Similarity NPD7146 Approved
0.6518 Remote Similarity NPD6684 Approved
0.6518 Remote Similarity NPD7521 Approved
0.6518 Remote Similarity NPD5330 Approved
0.6518 Remote Similarity NPD6098 Approved
0.6518 Remote Similarity NPD7334 Approved
0.6491 Remote Similarity NPD4753 Phase 2
0.6491 Remote Similarity NPD6080 Approved
0.6491 Remote Similarity NPD6673 Approved
0.6491 Remote Similarity NPD6904 Approved
0.6491 Remote Similarity NPD7285 Clinical (unspecified phase)
0.6481 Remote Similarity NPD7645 Phase 2
0.648 Remote Similarity NPD6371 Approved
0.6471 Remote Similarity NPD5956 Approved
0.6471 Remote Similarity NPD8029 Clinical (unspecified phase)
0.6466 Remote Similarity NPD4202 Approved
0.6429 Remote Similarity NPD5215 Approved
0.6429 Remote Similarity NPD7966 Clinical (unspecified phase)
0.6429 Remote Similarity NPD5217 Approved
0.6429 Remote Similarity NPD5216 Approved
0.6417 Remote Similarity NPD6648 Approved
0.641 Remote Similarity NPD5282 Discontinued
0.6404 Remote Similarity NPD6903 Approved
0.6396 Remote Similarity NPD6110 Phase 1
0.6379 Remote Similarity NPD5693 Phase 1
0.6356 Remote Similarity NPD6356 Clinical (unspecified phase)
0.6349 Remote Similarity NPD5134 Clinical (unspecified phase)
0.6349 Remote Similarity NPD5169 Approved
0.6349 Remote Similarity NPD5135 Approved
0.6339 Remote Similarity NPD3666 Approved
0.6339 Remote Similarity NPD3668 Phase 3
0.6339 Remote Similarity NPD7338 Clinical (unspecified phase)

Structure

External Identifiers

PubChem CID   71519984
ChEMBL   CHEMBL2314659
ZINC  

Physicochemical Properties

Molecular Weight:  478.22
ALogP:  -1.2551
MLogP:  3.22
XLogP:  0.669
# Rotatable Bonds:  12
Polar Surface Area:  142.75
# H-Bond Aceptor:  9
# H-Bond Donor:  4
# Rings:  5
# Heavy Atoms:  34

Download Data

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General Info & Identifiers & Properties  
Structure MOL file  
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Biological Activities  
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