Natural Product: NPC110294

Natural Product ID:  NPC110294
Common Name:   n.a.
IUPAC Name:  
Synonyms:  
Molecular Formula:   C28H33NO8
Standard InCHIKey:  SBJOOLHBCGISRK-XIWQPWFWSA-N
Standard InCHI:  InChI=1S/C28H33NO8/c1-7-9-11-13-16(30)18-20(32)15(3)23(33)26(5)21(18)25(4)24(34)19(17(31)14-12-10-8-2)22(29)27(6,35)28(25,36)37-26/h7-14,21,30,33,35-36H,29H2,1-6H3/b9-7+,10-8+,13-11+,14-12+,18-16+/t21-,25-,26+,27+,28-/m1/s1
Canonical SMILES:  C/C=C/C=C/C(=C1/C(=O)C(=C([C@@]2([C@H]1[C@]1(C)C(=O)C(=C([C@]([C@@]1(O2)O)(C)O)N)C(=O)/C=C/C=C/C)C)O)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
NPO32579 Penicillium sp. F23-2 Species Aspergillaceae Eukaryota PMID[24215398]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT393 Cell Line HCT-116 Homo sapiens IC50 > 10000 nM 23303337
NPT71 Cell Line HEK293 Homo sapiens IC50 > 10000 nM 23303337
NPT168 Cell Line P388 Mus musculus IC50 > 10000 nM 18077363
NPT2 Others Unspecified IC50 > 10000 nM 21049906
NPT165 Cell Line HeLa Homo sapiens IC50 > 10000 nM 17190457

  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 NPC110294 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
0.9141 High Similarity NPC471672
0.8667 High Similarity NPC471674
0.8667 High Similarity NPC201899
0.7188 Intermediate Similarity NPC38159
0.7165 Intermediate Similarity NPC300026
0.7087 Intermediate Similarity NPC168883
0.7045 Intermediate Similarity NPC316325
0.6967 Remote Similarity NPC93271
0.6967 Remote Similarity NPC135576
0.695 Remote Similarity NPC168879
0.6947 Remote Similarity NPC469454
0.6947 Remote Similarity NPC469463
0.6947 Remote Similarity NPC469496
0.6934 Remote Similarity NPC470922
0.6923 Remote Similarity NPC179798
0.6923 Remote Similarity NPC304180
0.6923 Remote Similarity NPC324683
0.6917 Remote Similarity NPC23046
0.6911 Remote Similarity NPC239895
0.688 Remote Similarity NPC9878
0.6879 Remote Similarity NPC102316
0.687 Remote Similarity NPC269530
0.6846 Remote Similarity NPC286880
0.6838 Remote Similarity NPC315915
0.6835 Remote Similarity NPC204556
0.6818 Remote Similarity NPC471204
0.6818 Remote Similarity NPC56448
0.6812 Remote Similarity NPC476729
0.6812 Remote Similarity NPC24651
0.6803 Remote Similarity NPC469819
0.6803 Remote Similarity NPC114162
0.6794 Remote Similarity NPC188738
0.6791 Remote Similarity NPC473968
0.6774 Remote Similarity NPC27105
0.6772 Remote Similarity NPC473624
0.6765 Remote Similarity NPC476815
0.6763 Remote Similarity NPC225049
0.6763 Remote Similarity NPC181999
0.6742 Remote Similarity NPC66108
0.6742 Remote Similarity NPC476801
0.6742 Remote Similarity NPC205534
0.6741 Remote Similarity NPC284707
0.6739 Remote Similarity NPC265557
0.6739 Remote Similarity NPC91693
0.6739 Remote Similarity NPC67251
0.6739 Remote Similarity NPC18945
0.6739 Remote Similarity NPC105926
0.6733 Remote Similarity NPC316249
0.672 Remote Similarity NPC203388
0.672 Remote Similarity NPC471330
0.672 Remote Similarity NPC153776
0.672 Remote Similarity NPC471331
0.672 Remote Similarity NPC472730
0.672 Remote Similarity NPC472687
0.672 Remote Similarity NPC472729
0.672 Remote Similarity NPC177680
0.672 Remote Similarity NPC99657
0.6719 Remote Similarity NPC146731
0.6719 Remote Similarity NPC472756
0.6718 Remote Similarity NPC5103
0.6718 Remote Similarity NPC235014
0.6715 Remote Similarity NPC473228
0.6715 Remote Similarity NPC470829
0.6693 Remote Similarity NPC235369
0.6692 Remote Similarity NPC151393
0.6691 Remote Similarity NPC476529
0.6691 Remote Similarity NPC475775
0.6691 Remote Similarity NPC470186
0.6691 Remote Similarity NPC268958
0.669 Remote Similarity NPC475314
0.669 Remote Similarity NPC251564
0.669 Remote Similarity NPC475606
0.669 Remote Similarity NPC477189
0.669 Remote Similarity NPC243014
0.6667 Remote Similarity NPC59751
0.6667 Remote Similarity NPC477241
0.6667 Remote Similarity NPC471333
0.6667 Remote Similarity NPC472749
0.6667 Remote Similarity NPC98249
0.6667 Remote Similarity NPC472728
0.6667 Remote Similarity NPC472751
0.6667 Remote Similarity NPC242486
0.6667 Remote Similarity NPC15215
0.6667 Remote Similarity NPC269642
0.6667 Remote Similarity NPC477116
0.6667 Remote Similarity NPC271621
0.6667 Remote Similarity NPC471332
0.6667 Remote Similarity NPC32006
0.6667 Remote Similarity NPC476190
0.6667 Remote Similarity NPC27413
0.6667 Remote Similarity NPC27999
0.6667 Remote Similarity NPC312833
0.6667 Remote Similarity NPC85529
0.6667 Remote Similarity NPC472727
0.6667 Remote Similarity NPC53396
0.6667 Remote Similarity NPC469684
0.6644 Remote Similarity NPC596
0.6644 Remote Similarity NPC140045
0.6644 Remote Similarity NPC295885
0.6643 Remote Similarity NPC474508
0.6643 Remote Similarity NPC473485
0.6643 Remote Similarity NPC293112
0.6643 Remote Similarity NPC473635
0.6642 Remote Similarity NPC48692
0.6642 Remote Similarity NPC474181
0.6642 Remote Similarity NPC478051
0.6642 Remote Similarity NPC109607
0.6642 Remote Similarity NPC107338
0.6642 Remote Similarity NPC473145
0.6642 Remote Similarity NPC247069
0.6641 Remote Similarity NPC220705
0.6641 Remote Similarity NPC472755
0.6641 Remote Similarity NPC475321
0.6641 Remote Similarity NPC271059
0.6641 Remote Similarity NPC25666
0.6619 Remote Similarity NPC315783
0.6619 Remote Similarity NPC469789
0.6618 Remote Similarity NPC475913
0.6618 Remote Similarity NPC296361
0.6617 Remote Similarity NPC236217
0.6615 Remote Similarity NPC133422
0.6614 Remote Similarity NPC469657
0.6614 Remote Similarity NPC244456
0.6612 Remote Similarity NPC472688
0.6612 Remote Similarity NPC472676
0.6596 Remote Similarity NPC476008
0.6594 Remote Similarity NPC310511
0.6594 Remote Similarity NPC471999
0.6594 Remote Similarity NPC46570
0.6594 Remote Similarity NPC472001
0.6594 Remote Similarity NPC472000
0.6593 Remote Similarity NPC270478
0.6593 Remote Similarity NPC176840
0.6593 Remote Similarity NPC64318
0.6591 Remote Similarity NPC46407
0.6591 Remote Similarity NPC473627
0.6591 Remote Similarity NPC37116
0.6591 Remote Similarity NPC474567
0.6589 Remote Similarity NPC472748
0.6589 Remote Similarity NPC296950
0.6583 Remote Similarity NPC103743
0.6583 Remote Similarity NPC476079
0.6583 Remote Similarity NPC113370
0.6575 Remote Similarity NPC190065
0.6575 Remote Similarity NPC471089
0.6575 Remote Similarity NPC251998
0.6575 Remote Similarity NPC141215
0.6573 Remote Similarity NPC476852
0.6571 Remote Similarity NPC8369
0.6571 Remote Similarity NPC81736
0.6571 Remote Similarity NPC172154
0.6569 Remote Similarity NPC245320
0.6569 Remote Similarity NPC475834
0.6569 Remote Similarity NPC77689
0.6569 Remote Similarity NPC473636
0.6569 Remote Similarity NPC474179
0.6567 Remote Similarity NPC25909
0.6567 Remote Similarity NPC474271
0.6565 Remote Similarity NPC137286
0.6565 Remote Similarity NPC71220
0.6565 Remote Similarity NPC264819
0.6562 Remote Similarity NPC472754
0.6562 Remote Similarity NPC183571
0.656 Remote Similarity NPC472733
0.656 Remote Similarity NPC472734
0.6552 Remote Similarity NPC471137
0.6552 Remote Similarity NPC473548
0.6552 Remote Similarity NPC100017
0.6552 Remote Similarity NPC182266
0.6552 Remote Similarity NPC475500
0.6552 Remote Similarity NPC223356
0.6552 Remote Similarity NPC475154
0.6552 Remote Similarity NPC471136
0.6549 Remote Similarity NPC473620
0.6549 Remote Similarity NPC245094
0.6549 Remote Similarity NPC476859
0.6547 Remote Similarity NPC170538
0.6547 Remote Similarity NPC23786
0.6547 Remote Similarity NPC470265
0.6547 Remote Similarity NPC107493
0.6544 Remote Similarity NPC471145
0.6544 Remote Similarity NPC134430
0.6544 Remote Similarity NPC474518
0.6544 Remote Similarity NPC218970
0.6544 Remote Similarity NPC284068
0.6541 Remote Similarity NPC100329
0.6541 Remote Similarity NPC97939
0.6541 Remote Similarity NPC247031
0.6541 Remote Similarity NPC132790
0.6538 Remote Similarity NPC477125
0.6525 Remote Similarity NPC477745
0.6522 Remote Similarity NPC475003
0.6522 Remote Similarity NPC31641
0.6522 Remote Similarity NPC112038
0.6522 Remote Similarity NPC473808
0.6522 Remote Similarity NPC475885
0.6515 Remote Similarity NPC23497
0.6512 Remote Similarity NPC472750
0.6512 Remote Similarity NPC69171
0.6512 Remote Similarity NPC472747

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC110294 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
0.7045 Intermediate Similarity NPD7500 Approved
0.7 Intermediate Similarity NPD7260 Phase 2
0.6831 Remote Similarity NPD6845 Suspended
0.6794 Remote Similarity NPD7116 Clinical (unspecified phase)
0.6715 Remote Similarity NPD8444 Approved
0.6714 Remote Similarity NPD8074 Phase 3
0.6619 Remote Similarity NPD7830 Approved
0.6619 Remote Similarity NPD7829 Approved
0.6475 Remote Similarity NPD8513 Phase 3
0.6475 Remote Similarity NPD8516 Approved
0.6475 Remote Similarity NPD8517 Approved
0.6475 Remote Similarity NPD8515 Approved
0.6403 Remote Similarity NPD7299 Clinical (unspecified phase)
0.6312 Remote Similarity NPD7624 Clinical (unspecified phase)
0.6312 Remote Similarity NPD7623 Phase 3
0.6304 Remote Similarity NPD7115 Discovery
0.6294 Remote Similarity NPD8451 Approved
0.6268 Remote Similarity NPD7642 Approved
0.625 Remote Similarity NPD8448 Approved
0.6241 Remote Similarity NPD7739 Clinical (unspecified phase)
0.6233 Remote Similarity NPD6914 Discontinued
0.6224 Remote Similarity NPD8342 Approved
0.6224 Remote Similarity NPD8299 Approved
0.6224 Remote Similarity NPD8341 Approved
0.6224 Remote Similarity NPD8340 Approved
0.6172 Remote Similarity NPD7839 Suspended
0.617 Remote Similarity NPD6054 Approved
0.6143 Remote Similarity NPD7641 Discontinued
0.6138 Remote Similarity NPD7746 Phase 1
0.6138 Remote Similarity NPD7747 Phase 1
0.6122 Remote Similarity NPD8392 Approved
0.6122 Remote Similarity NPD8390 Approved
0.6122 Remote Similarity NPD8391 Approved
0.6103 Remote Similarity NPD6371 Approved
0.6084 Remote Similarity NPD6370 Approved
0.6077 Remote Similarity NPD8029 Clinical (unspecified phase)
0.6077 Remote Similarity NPD4225 Approved
0.6074 Remote Similarity NPD6686 Approved
0.6063 Remote Similarity NPD5778 Approved
0.6063 Remote Similarity NPD5779 Approved
0.6014 Remote Similarity NPD6016 Approved
0.6014 Remote Similarity NPD6015 Approved
0.6 Remote Similarity NPD7492 Approved
0.6 Remote Similarity NPD7899 Clinical (unspecified phase)
0.5984 Remote Similarity NPD7983 Approved
0.5972 Remote Similarity NPD5988 Approved
0.5969 Remote Similarity NPD1698 Clinical (unspecified phase)
0.596 Remote Similarity NPD8415 Approved
0.5959 Remote Similarity NPD6616 Approved
0.5946 Remote Similarity NPD7319 Approved
0.5944 Remote Similarity NPD6319 Approved
0.5944 Remote Similarity NPD6059 Approved
0.5932 Remote Similarity NPD8407 Phase 2
0.5921 Remote Similarity NPD8387 Clinical (unspecified phase)
0.5918 Remote Similarity NPD7078 Approved
0.5903 Remote Similarity NPD8269 Approved
0.5903 Remote Similarity NPD8268 Approved
0.5903 Remote Similarity NPD8266 Approved
0.5903 Remote Similarity NPD6921 Approved
0.5903 Remote Similarity NPD8267 Approved
0.5891 Remote Similarity NPD5282 Discontinued
0.5882 Remote Similarity NPD7966 Clinical (unspecified phase)
0.5878 Remote Similarity NPD7736 Approved
0.5862 Remote Similarity NPD8080 Discontinued
0.5859 Remote Similarity NPD5281 Approved
0.5859 Remote Similarity NPD5284 Approved
0.585 Remote Similarity NPD7507 Approved
0.5839 Remote Similarity NPD5345 Clinical (unspecified phase)
0.5827 Remote Similarity NPD8413 Clinical (unspecified phase)
0.5822 Remote Similarity NPD8328 Phase 3
0.5822 Remote Similarity NPD7604 Phase 2
0.5801 Remote Similarity NPD8361 Approved
0.5801 Remote Similarity NPD8360 Approved
0.5793 Remote Similarity NPD7503 Approved
0.5789 Remote Similarity NPD6404 Discontinued
0.5786 Remote Similarity NPD6882 Approved
0.5786 Remote Similarity NPD8297 Approved
0.5781 Remote Similarity NPD5785 Approved
0.5772 Remote Similarity NPD8336 Approved
0.5772 Remote Similarity NPD8337 Approved
0.5766 Remote Similarity NPD6412 Phase 2
0.5763 Remote Similarity NPD8368 Discontinued
0.5755 Remote Similarity NPD4634 Approved
0.5755 Remote Similarity NPD5955 Clinical (unspecified phase)
0.5745 Remote Similarity NPD4632 Approved
0.5743 Remote Similarity NPD8273 Phase 1
0.5736 Remote Similarity NPD6411 Approved
0.5734 Remote Similarity NPD6009 Approved
0.5734 Remote Similarity NPD8137 Clinical (unspecified phase)
0.5726 Remote Similarity NPD3527 Clinical (unspecified phase)
0.5724 Remote Similarity NPD8338 Approved
0.5714 Remote Similarity NPD8435 Approved
0.5714 Remote Similarity NPD6649 Approved
0.5714 Remote Similarity NPD7601 Clinical (unspecified phase)
0.5714 Remote Similarity NPD6650 Approved
0.5705 Remote Similarity NPD8293 Discontinued
0.5685 Remote Similarity NPD8274 Clinical (unspecified phase)
0.5683 Remote Similarity NPD4061 Clinical (unspecified phase)
0.5682 Remote Similarity NPD7614 Phase 1
0.5674 Remote Similarity NPD6053 Discontinued
0.5667 Remote Similarity NPD6033 Approved
0.5659 Remote Similarity NPD6698 Approved
0.5659 Remote Similarity NPD46 Approved
0.5659 Remote Similarity NPD5207 Approved
0.5659 Remote Similarity NPD7838 Discovery
0.5645 Remote Similarity NPD4800 Clinical (unspecified phase)
0.5641 Remote Similarity NPD6333 Approved
0.5641 Remote Similarity NPD6334 Approved
0.5635 Remote Similarity NPD1694 Approved
0.5612 Remote Similarity NPD6899 Approved
0.5612 Remote Similarity NPD6881 Approved
0.5604 Remote Similarity NPD8424 Clinical (unspecified phase)

Structure

External Identifiers

PubChem CID  
ChEMBL   CHEMBL3093406
ZINC  

Physicochemical Properties

Molecular Weight:  511.22
ALogP:  0.513
MLogP:  3.55
XLogP:  2.43
# Rotatable Bonds:  16
Polar Surface Area:  167.38
# H-Bond Aceptor:  9
# H-Bond Donor:  5
# Rings:  3
# Heavy Atoms:  37

Download Data

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