Natural Product: NPC27999

Natural Product ID:  NPC27999
Common Name:   Diaporthins B
IUPAC Name:  
Synonyms:   Diaporthins B
Molecular Formula:   C20H28O6
Standard InCHIKey:  FVYIOIBMUVNZMQ-KNHLKMAJSA-N
Standard InCHI:  InChI=1S/C20H28O6/c1-5-16(4)9-12-14(22)19(24)20(25)15(2,3)7-6-8-17(20,11-26-19)18(12,23)13(21)10-16/h5,9,13,21,23-25H,1,6-8,10-11H2,2-4H3/t13-,16-,17+,18+,19-,20-/m1/s1
Canonical SMILES:  C=C[C@@]1(C)C[C@@H](O)[C@]2(C(=C1)C(=O)[C@@]1([C@@]3([C@@]2(CCCC3(C)C)CO1)O)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
NPO33396 Epicoccum sp. HS-1 Species Didymellaceae Eukaryota PMID[22418279]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT2 Others Unspecified IC50 = 6.52 ug/ml Open TG-GATES in vivo data: Hematology
NPT91 Cell Line KB Homo sapiens IC50 = 3.86 ug/ml Open TG-GATES in vivo data: Hematology

  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 NPC27999 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 NPC477116
0.9304 High Similarity NPC225049
0.9286 High Similarity NPC268958
0.887 High Similarity NPC112038
0.8783 High Similarity NPC469488
0.8761 High Similarity NPC261330
0.875 High Similarity NPC472002
0.8729 High Similarity NPC470922
0.8696 High Similarity NPC204552
0.8696 High Similarity NPC188667
0.8696 High Similarity NPC251310
0.8684 High Similarity NPC179626
0.8649 High Similarity NPC20192
0.8632 High Similarity NPC477046
0.8632 High Similarity NPC102822
0.8621 High Similarity NPC470777
0.8609 High Similarity NPC470854
0.8609 High Similarity NPC176513
0.8609 High Similarity NPC287343
0.8609 High Similarity NPC97908
0.8609 High Similarity NPC474654
0.8609 High Similarity NPC122033
0.8609 High Similarity NPC470775
0.8571 High Similarity NPC24651
0.8547 High Similarity NPC478051
0.8534 High Similarity NPC297179
0.8534 High Similarity NPC470776
0.8534 High Similarity NPC17772
0.8522 High Similarity NPC207217
0.8509 High Similarity NPC51978
0.8487 Intermediate Similarity NPC67251
0.8482 Intermediate Similarity NPC220705
0.8455 Intermediate Similarity NPC102316
0.8435 Intermediate Similarity NPC117712
0.8421 Intermediate Similarity NPC269530
0.8417 Intermediate Similarity NPC476729
0.8407 Intermediate Similarity NPC474567
0.8403 Intermediate Similarity NPC312833
0.839 Intermediate Similarity NPC107338
0.839 Intermediate Similarity NPC109607
0.8387 Intermediate Similarity NPC168879
0.8362 Intermediate Similarity NPC134869
0.8362 Intermediate Similarity NPC474734
0.8362 Intermediate Similarity NPC474046
0.8362 Intermediate Similarity NPC96312
0.8362 Intermediate Similarity NPC328374
0.8362 Intermediate Similarity NPC40632
0.8362 Intermediate Similarity NPC259306
0.8362 Intermediate Similarity NPC470628
0.8362 Intermediate Similarity NPC152199
0.8362 Intermediate Similarity NPC235539
0.8362 Intermediate Similarity NPC251236
0.8349 Intermediate Similarity NPC470184
0.8348 Intermediate Similarity NPC49451
0.8348 Intermediate Similarity NPC198539
0.8348 Intermediate Similarity NPC7921
0.8348 Intermediate Similarity NPC208998
0.8333 Intermediate Similarity NPC243014
0.8333 Intermediate Similarity NPC171888
0.8333 Intermediate Similarity NPC265557
0.8333 Intermediate Similarity NPC18945
0.8333 Intermediate Similarity NPC105926
0.8333 Intermediate Similarity NPC201992
0.8333 Intermediate Similarity NPC91693
0.8333 Intermediate Similarity NPC471243
0.8333 Intermediate Similarity NPC146945
0.8319 Intermediate Similarity NPC141350
0.8319 Intermediate Similarity NPC87335
0.8305 Intermediate Similarity NPC476529
0.8305 Intermediate Similarity NPC475775
0.8304 Intermediate Similarity NPC144854
0.8304 Intermediate Similarity NPC3316
0.8291 Intermediate Similarity NPC218970
0.8291 Intermediate Similarity NPC469684
0.8276 Intermediate Similarity NPC268238
0.8276 Intermediate Similarity NPC18547
0.8276 Intermediate Similarity NPC469877
0.8276 Intermediate Similarity NPC143268
0.8276 Intermediate Similarity NPC473798
0.8276 Intermediate Similarity NPC45218
0.8276 Intermediate Similarity NPC323821
0.8276 Intermediate Similarity NPC474906
0.8276 Intermediate Similarity NPC470919
0.8276 Intermediate Similarity NPC80650
0.8261 Intermediate Similarity NPC90769
0.8261 Intermediate Similarity NPC474516
0.8261 Intermediate Similarity NPC289312
0.8261 Intermediate Similarity NPC302146
0.8261 Intermediate Similarity NPC11252
0.825 Intermediate Similarity NPC222688
0.8246 Intermediate Similarity NPC5103
0.823 Intermediate Similarity NPC277017
0.823 Intermediate Similarity NPC192813
0.823 Intermediate Similarity NPC154608
0.822 Intermediate Similarity NPC240509
0.822 Intermediate Similarity NPC21326
0.8205 Intermediate Similarity NPC16081
0.8205 Intermediate Similarity NPC173686
0.8197 Intermediate Similarity NPC293112
0.819 Intermediate Similarity NPC477266
0.8174 Intermediate Similarity NPC474229
0.8167 Intermediate Similarity NPC470779
0.816 Intermediate Similarity NPC254614
0.816 Intermediate Similarity NPC100390
0.8158 Intermediate Similarity NPC143706
0.8158 Intermediate Similarity NPC472534
0.8142 Intermediate Similarity NPC230541
0.8136 Intermediate Similarity NPC13713
0.8136 Intermediate Similarity NPC58662
0.8136 Intermediate Similarity NPC473590
0.8136 Intermediate Similarity NPC473968
0.813 Intermediate Similarity NPC470780
0.813 Intermediate Similarity NPC470882
0.8125 Intermediate Similarity NPC295885
0.8125 Intermediate Similarity NPC596
0.8125 Intermediate Similarity NPC140045
0.812 Intermediate Similarity NPC243354
0.812 Intermediate Similarity NPC247069
0.8115 Intermediate Similarity NPC81736
0.8115 Intermediate Similarity NPC172154
0.8103 Intermediate Similarity NPC205534
0.8099 Intermediate Similarity NPC313528
0.8087 Intermediate Similarity NPC235014
0.8087 Intermediate Similarity NPC46407
0.8083 Intermediate Similarity NPC48692
0.808 Intermediate Similarity NPC476863
0.808 Intermediate Similarity NPC476862
0.808 Intermediate Similarity NPC476852
0.8067 Intermediate Similarity NPC284707
0.8067 Intermediate Similarity NPC478205
0.8067 Intermediate Similarity NPC478206
0.8067 Intermediate Similarity NPC108581
0.8065 Intermediate Similarity NPC475636
0.8065 Intermediate Similarity NPC476859
0.8065 Intermediate Similarity NPC295220
0.8053 Intermediate Similarity NPC181357
0.8053 Intermediate Similarity NPC472645
0.8053 Intermediate Similarity NPC102352
0.8051 Intermediate Similarity NPC270478
0.8051 Intermediate Similarity NPC478216
0.8049 Intermediate Similarity NPC477745
0.8047 Intermediate Similarity NPC141215
0.8047 Intermediate Similarity NPC190065
0.8047 Intermediate Similarity NPC251998
0.8047 Intermediate Similarity NPC471089
0.8034 Intermediate Similarity NPC478212
0.8034 Intermediate Similarity NPC194273
0.8034 Intermediate Similarity NPC469454
0.8034 Intermediate Similarity NPC108721
0.8034 Intermediate Similarity NPC469463
0.8034 Intermediate Similarity NPC73300
0.8034 Intermediate Similarity NPC25909
0.8034 Intermediate Similarity NPC469496
0.8033 Intermediate Similarity NPC11895
0.8033 Intermediate Similarity NPC227397
0.8033 Intermediate Similarity NPC469789
0.8031 Intermediate Similarity NPC242486
0.8031 Intermediate Similarity NPC15215
0.8017 Intermediate Similarity NPC469655
0.8017 Intermediate Similarity NPC304180
0.8017 Intermediate Similarity NPC179798
0.8017 Intermediate Similarity NPC474846
0.8017 Intermediate Similarity NPC188738
0.8017 Intermediate Similarity NPC469656
0.8017 Intermediate Similarity NPC472401
0.8017 Intermediate Similarity NPC157476
0.8017 Intermediate Similarity NPC476023
0.8016 Intermediate Similarity NPC33378
0.8016 Intermediate Similarity NPC254146
0.8016 Intermediate Similarity NPC6274
0.8 Intermediate Similarity NPC231529
0.8 Intermediate Similarity NPC264192
0.8 Intermediate Similarity NPC473920
0.8 Intermediate Similarity NPC476107
0.8 Intermediate Similarity NPC476851
0.8 Intermediate Similarity NPC309096
0.8 Intermediate Similarity NPC279143
0.8 Intermediate Similarity NPC162495
0.8 Intermediate Similarity NPC54614
0.7984 Intermediate Similarity NPC473265
0.7984 Intermediate Similarity NPC476008
0.7984 Intermediate Similarity NPC473253
0.7983 Intermediate Similarity NPC98249
0.7983 Intermediate Similarity NPC478204
0.7983 Intermediate Similarity NPC156252
0.7983 Intermediate Similarity NPC53396
0.7969 Intermediate Similarity NPC262813
0.7967 Intermediate Similarity NPC8369
0.7966 Intermediate Similarity NPC326542
0.7966 Intermediate Similarity NPC299849
0.7965 Intermediate Similarity NPC296950
0.7965 Intermediate Similarity NPC146731
0.7953 Intermediate Similarity NPC478151
0.7951 Intermediate Similarity NPC19464
0.7951 Intermediate Similarity NPC170538
0.7949 Intermediate Similarity NPC207251
0.7937 Intermediate Similarity NPC475606
0.7937 Intermediate Similarity NPC476855
0.7937 Intermediate Similarity NPC477189
0.7937 Intermediate Similarity NPC475314

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC27999 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
0.8235 Intermediate Similarity NPD6054 Approved
0.8167 Intermediate Similarity NPD6016 Approved
0.8167 Intermediate Similarity NPD6015 Approved
0.8099 Intermediate Similarity NPD5988 Approved
0.8099 Intermediate Similarity NPD6370 Approved
0.7967 Intermediate Similarity NPD7492 Approved
0.7934 Intermediate Similarity NPD6059 Approved
0.7934 Intermediate Similarity NPD6319 Approved
0.7913 Intermediate Similarity NPD5345 Clinical (unspecified phase)
0.7903 Intermediate Similarity NPD6616 Approved
0.784 Intermediate Similarity NPD7078 Approved
0.7778 Intermediate Similarity NPD7736 Approved
0.7686 Intermediate Similarity NPD6009 Approved
0.7627 Intermediate Similarity NPD4634 Approved
0.76 Intermediate Similarity NPD8328 Phase 3
0.7583 Intermediate Similarity NPD4632 Approved
0.7559 Intermediate Similarity NPD8293 Discontinued
0.7542 Intermediate Similarity NPD4061 Clinical (unspecified phase)
0.7541 Intermediate Similarity NPD7115 Discovery
0.7522 Intermediate Similarity NPD4225 Approved
0.7521 Intermediate Similarity NPD5697 Approved
0.75 Intermediate Similarity NPD8297 Approved
0.75 Intermediate Similarity NPD6882 Approved
0.7478 Intermediate Similarity NPD5211 Phase 2
0.7458 Intermediate Similarity NPD6899 Approved
0.7458 Intermediate Similarity NPD6881 Approved
0.7417 Intermediate Similarity NPD6650 Approved
0.7417 Intermediate Similarity NPD6649 Approved
0.7398 Intermediate Similarity NPD8295 Clinical (unspecified phase)
0.7395 Intermediate Similarity NPD6012 Approved
0.7395 Intermediate Similarity NPD6014 Approved
0.7395 Intermediate Similarity NPD6013 Approved
0.7364 Intermediate Similarity NPD6033 Approved
0.735 Intermediate Similarity NPD5141 Approved
0.7333 Intermediate Similarity NPD6883 Approved
0.7333 Intermediate Similarity NPD5955 Clinical (unspecified phase)
0.7333 Intermediate Similarity NPD7290 Approved
0.7333 Intermediate Similarity NPD7102 Approved
0.7311 Intermediate Similarity NPD6011 Approved
0.7304 Intermediate Similarity NPD4696 Approved
0.7304 Intermediate Similarity NPD5285 Approved
0.7304 Intermediate Similarity NPD5286 Approved
0.7302 Intermediate Similarity NPD5983 Phase 2
0.7288 Intermediate Similarity NPD6675 Approved
0.7288 Intermediate Similarity NPD7128 Approved
0.7288 Intermediate Similarity NPD5739 Approved
0.7288 Intermediate Similarity NPD6402 Approved
0.7273 Intermediate Similarity NPD6617 Approved
0.7273 Intermediate Similarity NPD6869 Approved
0.7273 Intermediate Similarity NPD6847 Approved
0.7273 Intermediate Similarity NPD8130 Phase 1
0.725 Intermediate Similarity NPD6372 Approved
0.725 Intermediate Similarity NPD6373 Approved
0.7227 Intermediate Similarity NPD5701 Approved
0.7188 Intermediate Similarity NPD7604 Phase 2
0.7179 Intermediate Similarity NPD4633 Approved
0.7179 Intermediate Similarity NPD5226 Approved
0.7179 Intermediate Similarity NPD5225 Approved
0.7179 Intermediate Similarity NPD5224 Approved
0.7176 Intermediate Similarity NPD7319 Approved
0.7167 Intermediate Similarity NPD7320 Approved
0.7167 Intermediate Similarity NPD6686 Approved
0.7165 Intermediate Similarity NPD6921 Approved
0.713 Intermediate Similarity NPD4755 Approved
0.7119 Intermediate Similarity NPD5174 Approved
0.7119 Intermediate Similarity NPD5175 Approved
0.7094 Intermediate Similarity NPD5223 Approved
0.7083 Intermediate Similarity NPD5954 Clinical (unspecified phase)
0.7083 Intermediate Similarity NPD6412 Phase 2
0.7077 Intermediate Similarity NPD6336 Discontinued
0.7043 Intermediate Similarity NPD5220 Clinical (unspecified phase)
0.7043 Intermediate Similarity NPD5222 Approved
0.7043 Intermediate Similarity NPD5221 Approved
0.7031 Intermediate Similarity NPD8516 Approved
0.7031 Intermediate Similarity NPD8517 Approved
0.7031 Intermediate Similarity NPD8515 Approved
0.7031 Intermediate Similarity NPD8513 Phase 3
0.7018 Intermediate Similarity NPD5282 Discontinued
0.7009 Intermediate Similarity NPD4700 Approved
0.7 Intermediate Similarity NPD6008 Approved
0.6992 Remote Similarity NPD5956 Approved
0.6983 Remote Similarity NPD5173 Approved
0.6967 Remote Similarity NPD8132 Clinical (unspecified phase)
0.6949 Remote Similarity NPD5344 Discontinued
0.6947 Remote Similarity NPD7507 Approved
0.6905 Remote Similarity NPD6274 Approved
0.6897 Remote Similarity NPD4697 Phase 3
0.6885 Remote Similarity NPD4729 Approved
0.6885 Remote Similarity NPD4730 Approved
0.6875 Remote Similarity NPD7100 Approved
0.6875 Remote Similarity NPD7101 Approved
0.6855 Remote Similarity NPD6401 Clinical (unspecified phase)
0.685 Remote Similarity NPD6317 Approved
0.6842 Remote Similarity NPD6079 Approved
0.6797 Remote Similarity NPD6313 Approved
0.6797 Remote Similarity NPD6335 Approved
0.6797 Remote Similarity NPD6314 Approved
0.6783 Remote Similarity NPD5779 Approved
0.6783 Remote Similarity NPD5778 Approved
0.6774 Remote Similarity NPD5247 Approved
0.6774 Remote Similarity NPD6371 Approved
0.6774 Remote Similarity NPD5248 Approved
0.6774 Remote Similarity NPD5250 Approved
0.6774 Remote Similarity NPD5251 Approved
0.6774 Remote Similarity NPD5249 Phase 3
0.6769 Remote Similarity NPD6291 Clinical (unspecified phase)
0.6767 Remote Similarity NPD8074 Phase 3
0.6748 Remote Similarity NPD5128 Approved
0.6744 Remote Similarity NPD7516 Approved
0.6723 Remote Similarity NPD7640 Approved
0.6723 Remote Similarity NPD7639 Approved
0.6721 Remote Similarity NPD4768 Approved
0.6721 Remote Similarity NPD4767 Approved
0.672 Remote Similarity NPD5217 Approved
0.672 Remote Similarity NPD5216 Approved
0.672 Remote Similarity NPD5215 Approved
0.672 Remote Similarity NPD8413 Clinical (unspecified phase)
0.6696 Remote Similarity NPD3618 Phase 1
0.6696 Remote Similarity NPD3574 Clinical (unspecified phase)
0.6695 Remote Similarity NPD6083 Phase 2
0.6695 Remote Similarity NPD6084 Phase 2
0.6694 Remote Similarity NPD4754 Approved
0.6667 Remote Similarity NPD7899 Clinical (unspecified phase)
0.6667 Remote Similarity NPD1698 Clinical (unspecified phase)
0.6667 Remote Similarity NPD5210 Approved
0.6667 Remote Similarity NPD4629 Approved
0.6667 Remote Similarity NPD5328 Approved
0.6667 Remote Similarity NPD7328 Approved
0.6667 Remote Similarity NPD7327 Approved
0.6641 Remote Similarity NPD6868 Approved
0.664 Remote Similarity NPD5135 Approved
0.664 Remote Similarity NPD5169 Approved
0.664 Remote Similarity NPD5134 Clinical (unspecified phase)
0.6639 Remote Similarity NPD7638 Approved
0.6639 Remote Similarity NPD5696 Approved
0.6587 Remote Similarity NPD5127 Approved
0.6583 Remote Similarity NPD6648 Approved
0.6555 Remote Similarity NPD7902 Approved
0.6552 Remote Similarity NPD7983 Approved
0.6552 Remote Similarity NPD6411 Approved
0.6541 Remote Similarity NPD6067 Discontinued
0.6525 Remote Similarity NPD5695 Phase 3
0.6522 Remote Similarity NPD4753 Phase 2
0.6515 Remote Similarity NPD6908 Approved
0.6515 Remote Similarity NPD6909 Approved
0.6515 Remote Similarity NPD7503 Approved
0.6496 Remote Similarity NPD6399 Phase 3
0.6496 Remote Similarity NPD4202 Approved
0.6491 Remote Similarity NPD3573 Approved
0.6489 Remote Similarity NPD4522 Approved
0.648 Remote Similarity NPD5168 Approved
0.646 Remote Similarity NPD1694 Approved
0.646 Remote Similarity NPD1696 Phase 3
0.6455 Remote Similarity NPD4695 Discontinued
0.6454 Remote Similarity NPD7966 Clinical (unspecified phase)
0.6449 Remote Similarity NPD7260 Phase 2
0.6441 Remote Similarity NPD7748 Approved
0.6434 Remote Similarity NPD5167 Approved
0.6429 Remote Similarity NPD6110 Phase 1
0.6424 Remote Similarity NPD8407 Phase 2
0.641 Remote Similarity NPD7515 Phase 2
0.641 Remote Similarity NPD7637 Suspended
0.6408 Remote Similarity NPD6333 Approved
0.6408 Remote Similarity NPD6334 Approved
0.6393 Remote Similarity NPD1700 Approved
0.6391 Remote Similarity NPD8378 Approved
0.6391 Remote Similarity NPD8296 Approved
0.6391 Remote Similarity NPD8379 Approved
0.6391 Remote Similarity NPD8380 Approved
0.6391 Remote Similarity NPD8335 Approved
0.6391 Remote Similarity NPD8033 Approved
0.6379 Remote Similarity NPD5764 Clinical (unspecified phase)
0.6379 Remote Similarity NPD6101 Approved
0.6348 Remote Similarity NPD7524 Approved
0.6341 Remote Similarity NPD7632 Discontinued
0.6341 Remote Similarity NPD8368 Discontinued
0.6339 Remote Similarity NPD3667 Approved
0.6316 Remote Similarity NPD8294 Approved
0.6316 Remote Similarity NPD8377 Approved
0.6303 Remote Similarity NPD7901 Clinical (unspecified phase)
0.6303 Remote Similarity NPD7900 Approved
0.6293 Remote Similarity NPD6672 Approved
0.6293 Remote Similarity NPD5737 Approved
0.6286 Remote Similarity NPD6845 Suspended
0.6279 Remote Similarity NPD6053 Discontinued
0.6261 Remote Similarity NPD5279 Phase 3
0.6261 Remote Similarity NPD4519 Discontinued
0.6261 Remote Similarity NPD4623 Approved
0.6231 Remote Similarity NPD8133 Approved
0.623 Remote Similarity NPD8029 Clinical (unspecified phase)
0.6228 Remote Similarity NPD4786 Approved
0.6228 Remote Similarity NPD3666 Approved
0.6228 Remote Similarity NPD3665 Phase 1
0.6228 Remote Similarity NPD3133 Approved
0.6196 Remote Similarity NPD7799 Discontinued
0.6186 Remote Similarity NPD6698 Approved
0.6186 Remote Similarity NPD46 Approved
0.6186 Remote Similarity NPD5785 Approved
0.6154 Remote Similarity NPD8387 Clinical (unspecified phase)
0.6154 Remote Similarity NPD8434 Phase 2

Structure

External Identifiers

PubChem CID   70695904
ChEMBL   CHEMBL2017495
ZINC  

Physicochemical Properties

Molecular Weight:  364.19
ALogP:  -1.1522
MLogP:  3
XLogP:  1.983
# Rotatable Bonds:  8
Polar Surface Area:  107.22
# H-Bond Aceptor:  6
# H-Bond Donor:  4
# Rings:  4
# Heavy Atoms:  26

Download Data

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