Natural Product: NPC280374

Natural Product ID:  NPC280374
Common Name:   Bromomethylchlamydosporol A
IUPAC Name:   (7R,8S)-8-bromo-4,7-dimethoxy-7,8-dimethyl-5H-pyrano[4,3-b]pyran-2-one
Synonyms:   Bromomethylchlamydosporol A
Molecular Formula:   C12H15BrO5
Standard InCHIKey:  VELKRHLRXGRDEF-NWDGAFQWSA-N
Standard InCHI:  InChI=1S/C12H15BrO5/c1-11(13)10-7(6-17-12(11,2)16-4)8(15-3)5-9(14)18-10/h5H,6H2,1-4H3/t11-,12+/m0/s1
Canonical SMILES:  COc1cc(=O)oc2c1CO[C@@]([C@@]2(C)Br)(C)OC
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
NPO25042 Fusarium tricinctum Species Nectriaceae Eukaryota PMID[21090694]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT16 Organism Staphylococcus aureus Staphylococcus aureus MIC = 15.6 ug/ml 16913700
NPT16 Organism Staphylococcus aureus Staphylococcus aureus MIC = 15.6 ug/ml 16750360

  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 NPC280374 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
0.9385 High Similarity NPC470032
0.8507 High Similarity NPC470033
0.8182 Intermediate Similarity NPC15193
0.7917 Intermediate Similarity NPC178575
0.7838 Intermediate Similarity NPC210258
0.7838 Intermediate Similarity NPC206507
0.7838 Intermediate Similarity NPC147621
0.7324 Intermediate Similarity NPC476589
0.726 Intermediate Similarity NPC477117
0.72 Intermediate Similarity NPC133098
0.7123 Intermediate Similarity NPC132286
0.7027 Intermediate Similarity NPC238223
0.7015 Intermediate Similarity NPC25038
0.7 Intermediate Similarity NPC309408
0.6912 Remote Similarity NPC221763
0.6912 Remote Similarity NPC150717
0.6875 Remote Similarity NPC234084
0.6818 Remote Similarity NPC191643
0.6765 Remote Similarity NPC173157
0.6761 Remote Similarity NPC476585
0.6712 Remote Similarity NPC471611
0.6623 Remote Similarity NPC475113
0.6623 Remote Similarity NPC59558
0.6623 Remote Similarity NPC299932
0.662 Remote Similarity NPC133600
0.6618 Remote Similarity NPC218486
0.6575 Remote Similarity NPC2328
0.6575 Remote Similarity NPC475073
0.6538 Remote Similarity NPC162571
0.6538 Remote Similarity NPC112983
0.6538 Remote Similarity NPC269103
0.6538 Remote Similarity NPC124072
0.6533 Remote Similarity NPC469446
0.6528 Remote Similarity NPC429928
0.6494 Remote Similarity NPC494
0.6456 Remote Similarity NPC316851
0.6456 Remote Similarity NPC146583
0.6429 Remote Similarity NPC86948
0.641 Remote Similarity NPC315285
0.64 Remote Similarity NPC471566
0.64 Remote Similarity NPC475110
0.64 Remote Similarity NPC471565
0.64 Remote Similarity NPC476586
0.64 Remote Similarity NPC7940
0.64 Remote Similarity NPC471556
0.6386 Remote Similarity NPC271632
0.6375 Remote Similarity NPC188354
0.6353 Remote Similarity NPC8161
0.6351 Remote Similarity NPC474723
0.6351 Remote Similarity NPC474729
0.6316 Remote Similarity NPC315115
0.6301 Remote Similarity NPC130953
0.6301 Remote Similarity NPC98519
0.6296 Remote Similarity NPC315552
0.6269 Remote Similarity NPC275316
0.6267 Remote Similarity NPC53136
0.6267 Remote Similarity NPC173409
0.625 Remote Similarity NPC189700
0.622 Remote Similarity NPC470705
0.6216 Remote Similarity NPC217537
0.6216 Remote Similarity NPC68044
0.6203 Remote Similarity NPC315597
0.6197 Remote Similarity NPC51846
0.6184 Remote Similarity NPC220766
0.6184 Remote Similarity NPC182794
0.6163 Remote Similarity NPC123908
0.6163 Remote Similarity NPC10080
0.6154 Remote Similarity NPC313444
0.6154 Remote Similarity NPC79220
0.6145 Remote Similarity NPC315394
0.6145 Remote Similarity NPC473825
0.6143 Remote Similarity NPC478120
0.6143 Remote Similarity NPC159535
0.6143 Remote Similarity NPC151761
0.6133 Remote Similarity NPC473737
0.6133 Remote Similarity NPC476584
0.6125 Remote Similarity NPC316185
0.6125 Remote Similarity NPC181587
0.6104 Remote Similarity NPC191233
0.6104 Remote Similarity NPC37382
0.6081 Remote Similarity NPC26223
0.6081 Remote Similarity NPC79756
0.6076 Remote Similarity NPC470693
0.6076 Remote Similarity NPC151481
0.6071 Remote Similarity NPC102065
0.6071 Remote Similarity NPC85743
0.6053 Remote Similarity NPC475618
0.6053 Remote Similarity NPC308457
0.6053 Remote Similarity NPC148233
0.6053 Remote Similarity NPC25747
0.6029 Remote Similarity NPC15789
0.6029 Remote Similarity NPC236338
0.6024 Remote Similarity NPC225022
0.6024 Remote Similarity NPC238554
0.6 Remote Similarity NPC316029
0.5978 Remote Similarity NPC327253
0.5977 Remote Similarity NPC474439
0.5977 Remote Similarity NPC474028
0.5976 Remote Similarity NPC470686
0.5976 Remote Similarity NPC107654
0.5976 Remote Similarity NPC177030
0.5976 Remote Similarity NPC315843
0.5976 Remote Similarity NPC77724
0.5974 Remote Similarity NPC282760
0.5974 Remote Similarity NPC273600
0.5974 Remote Similarity NPC131174
0.5974 Remote Similarity NPC470123
0.5972 Remote Similarity NPC245002
0.5955 Remote Similarity NPC163606
0.5955 Remote Similarity NPC281172
0.5952 Remote Similarity NPC471225
0.5952 Remote Similarity NPC228902
0.5952 Remote Similarity NPC10572
0.5952 Remote Similarity NPC68156
0.5952 Remote Similarity NPC24827
0.5949 Remote Similarity NPC287705
0.5946 Remote Similarity NPC159650
0.5946 Remote Similarity NPC22897
0.5946 Remote Similarity NPC286189
0.5921 Remote Similarity NPC210303
0.5921 Remote Similarity NPC179087
0.5921 Remote Similarity NPC44343
0.5921 Remote Similarity NPC132243
0.5915 Remote Similarity NPC151923
0.5915 Remote Similarity NPC129710
0.5915 Remote Similarity NPC9611
0.5909 Remote Similarity NPC270706
0.5909 Remote Similarity NPC47946
0.5909 Remote Similarity NPC26600
0.5909 Remote Similarity NPC475714
0.5904 Remote Similarity NPC478193
0.5904 Remote Similarity NPC478192
0.5904 Remote Similarity NPC478191
0.5904 Remote Similarity NPC478194
0.5904 Remote Similarity NPC478196
0.5904 Remote Similarity NPC478195
0.5897 Remote Similarity NPC146811
0.5897 Remote Similarity NPC475555
0.5897 Remote Similarity NPC475675
0.5897 Remote Similarity NPC124586
0.5895 Remote Similarity NPC170204
0.5889 Remote Similarity NPC291712
0.5889 Remote Similarity NPC186332
0.5889 Remote Similarity NPC47220
0.5882 Remote Similarity NPC135698
0.5882 Remote Similarity NPC126184
0.5875 Remote Similarity NPC88877
0.5875 Remote Similarity NPC232812
0.5875 Remote Similarity NPC476591
0.5875 Remote Similarity NPC473277
0.587 Remote Similarity NPC64913
0.587 Remote Similarity NPC242877
0.5854 Remote Similarity NPC222244
0.5854 Remote Similarity NPC16349
0.5851 Remote Similarity NPC320552
0.5844 Remote Similarity NPC471460
0.5844 Remote Similarity NPC477457
0.5844 Remote Similarity NPC477456
0.5843 Remote Similarity NPC126518
0.5833 Remote Similarity NPC478117
0.5833 Remote Similarity NPC474913
0.5824 Remote Similarity NPC169050
0.5824 Remote Similarity NPC316138
0.5824 Remote Similarity NPC286608
0.5824 Remote Similarity NPC313658
0.5823 Remote Similarity NPC203335
0.5821 Remote Similarity NPC197467
0.5821 Remote Similarity NPC128280
0.5814 Remote Similarity NPC286816
0.5814 Remote Similarity NPC199134
0.5802 Remote Similarity NPC37929
0.5802 Remote Similarity NPC64234
0.5802 Remote Similarity NPC202011
0.5789 Remote Similarity NPC55376
0.5789 Remote Similarity NPC151648
0.5789 Remote Similarity NPC263732
0.5778 Remote Similarity NPC469570
0.5778 Remote Similarity NPC296589
0.5778 Remote Similarity NPC470124
0.5778 Remote Similarity NPC48210
0.5773 Remote Similarity NPC153559
0.5769 Remote Similarity NPC96414
0.5769 Remote Similarity NPC133904
0.5765 Remote Similarity NPC316324
0.5761 Remote Similarity NPC471058
0.5761 Remote Similarity NPC471057
0.575 Remote Similarity NPC63873
0.575 Remote Similarity NPC475760
0.575 Remote Similarity NPC474823
0.5745 Remote Similarity NPC470520
0.5745 Remote Similarity NPC32552
0.5735 Remote Similarity NPC128520
0.5733 Remote Similarity NPC302564
0.5733 Remote Similarity NPC97570
0.5714 Remote Similarity NPC124181
0.5714 Remote Similarity NPC474658
0.5714 Remote Similarity NPC217940
0.5714 Remote Similarity NPC473307
0.5699 Remote Similarity NPC142159
0.5699 Remote Similarity NPC225283

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC280374 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
0.5843 Remote Similarity NPD6400 Clinical (unspecified phase)
0.5824 Remote Similarity NPD1282 Approved
0.5714 Remote Similarity NPD6927 Phase 3

Structure

External Identifiers

PubChem CID   50905873
ChEMBL   CHEMBL1649603
ZINC  

Physicochemical Properties

Molecular Weight:  318.01
ALogP:  0.5172
MLogP:  2.12
XLogP:  1.394
# Rotatable Bonds:  7
Polar Surface Area:  53.99
# H-Bond Aceptor:  5
# H-Bond Donor:  0
# Rings:  2
# Heavy Atoms:  18

Download Data

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General Info & Identifiers & Properties  
Structure MOL file  
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Biological Activities  
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