Natural Product: NPC15325

Natural Product ID:  NPC15325
Common Name:   Globiferin
IUPAC Name:   (6E,10Z)-7,11-dimethyl-5,8,9,12-tetrahydrobenzo[10]annulene-1,4-dione
Synonyms:   Globiferin
Molecular Formula:   C16H18O2
Standard InCHIKey:  IYBUBJTWRYPRSI-CRLRQKJVSA-N
Standard InCHI:  InChI=1S/C16H18O2/c1-11-4-3-5-12(2)10-14-13(7-6-11)15(17)8-9-16(14)18/h5-6,8-9H,3-4,7,10H2,1-2H3/b11-6+,12-5-
Canonical SMILES:  C/C/1=CCC2=C(C/C(=CCC1)/C)C(=O)C=CC2=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
NPO22854 Cordia globifera Species Cordiaceae Eukaryota PMID[19368377]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT189 Cell Line Vero Chlorocebus aethiops IC50 > 50 ug/ml 17629327
NPT485 Organism Plasmodium falciparum (isolate K1 / Thailand) Plasmodium falciparum K1 IC50 = 2.1 ug/ml DrugMatrix in vivo data: Pathology
NPT639 Cell Line NCI-H187 Homo sapiens IC50 = 0.5 ug/ml PubChem BioAssay data set
NPT2 Others Unspecified IC50 > 20 ug/ml 19901091
NPT20 Organism Candida albicans Candida albicans IC50 > 20 ug/ml 23587837
NPT88 Organism Mycobacterium tuberculosis Mycobacterium tuberculosis MIC = 6.2 ug/ml 12027740
NPT91 Cell Line KB Homo sapiens IC50 > 20 ug/ml PubChem BioAssay data set

  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 NPC15325 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
0.913 High Similarity NPC191337
0.8913 High Similarity NPC477686
0.84 Intermediate Similarity NPC118788
0.8298 Intermediate Similarity NPC301972
0.8125 Intermediate Similarity NPC25771
0.8043 Intermediate Similarity NPC113082
0.8043 Intermediate Similarity NPC111474
0.7959 Intermediate Similarity NPC166788
0.7925 Intermediate Similarity NPC37644
0.7917 Intermediate Similarity NPC292463
0.78 Intermediate Similarity NPC8610
0.78 Intermediate Similarity NPC262558
0.78 Intermediate Similarity NPC471752
0.78 Intermediate Similarity NPC100380
0.7692 Intermediate Similarity NPC228776
0.7692 Intermediate Similarity NPC163984
0.7692 Intermediate Similarity NPC32351
0.7692 Intermediate Similarity NPC176819
0.7692 Intermediate Similarity NPC58970
0.7609 Intermediate Similarity NPC180840
0.7609 Intermediate Similarity NPC155880
0.7609 Intermediate Similarity NPC92863
0.7551 Intermediate Similarity NPC216921
0.7544 Intermediate Similarity NPC311852
0.75 Intermediate Similarity NPC145311
0.7447 Intermediate Similarity NPC217923
0.74 Intermediate Similarity NPC471753
0.7391 Intermediate Similarity NPC185839
0.7368 Intermediate Similarity NPC283502
0.7358 Intermediate Similarity NPC474391
0.7321 Intermediate Similarity NPC275472
0.7308 Intermediate Similarity NPC324812
0.7273 Intermediate Similarity NPC268564
0.7273 Intermediate Similarity NPC296311
0.7222 Intermediate Similarity NPC64866
0.7222 Intermediate Similarity NPC477458
0.7193 Intermediate Similarity NPC473733
0.7174 Intermediate Similarity NPC38497
0.7143 Intermediate Similarity NPC189677
0.7143 Intermediate Similarity NPC322461
0.7097 Intermediate Similarity NPC251118
0.7091 Intermediate Similarity NPC471751
0.7069 Intermediate Similarity NPC268185
0.7059 Intermediate Similarity NPC267514
0.7059 Intermediate Similarity NPC145755
0.7049 Intermediate Similarity NPC288253
0.7049 Intermediate Similarity NPC477707
0.7049 Intermediate Similarity NPC477830
0.7037 Intermediate Similarity NPC225974
0.6984 Remote Similarity NPC16119
0.6981 Remote Similarity NPC91962
0.6964 Remote Similarity NPC45283
0.6964 Remote Similarity NPC23117
0.6964 Remote Similarity NPC14002
0.6964 Remote Similarity NPC474805
0.6957 Remote Similarity NPC269641
0.6935 Remote Similarity NPC474400
0.6935 Remote Similarity NPC4638
0.6935 Remote Similarity NPC34622
0.6909 Remote Similarity NPC234829
0.6909 Remote Similarity NPC27438
0.6897 Remote Similarity NPC325977
0.6885 Remote Similarity NPC64985
0.6875 Remote Similarity NPC106613
0.6875 Remote Similarity NPC474619
0.6842 Remote Similarity NPC5626
0.6842 Remote Similarity NPC317796
0.6842 Remote Similarity NPC63396
0.6842 Remote Similarity NPC202850
0.6833 Remote Similarity NPC473494
0.6825 Remote Similarity NPC98897
0.6792 Remote Similarity NPC14917
0.6792 Remote Similarity NPC4079
0.6792 Remote Similarity NPC236355
0.6786 Remote Similarity NPC137396
0.678 Remote Similarity NPC224103
0.678 Remote Similarity NPC200831
0.678 Remote Similarity NPC192843
0.678 Remote Similarity NPC299369
0.678 Remote Similarity NPC281230
0.6774 Remote Similarity NPC143168
0.6774 Remote Similarity NPC151728
0.6774 Remote Similarity NPC32285
0.6774 Remote Similarity NPC57463
0.6774 Remote Similarity NPC322457
0.6774 Remote Similarity NPC53109
0.6769 Remote Similarity NPC260474
0.6769 Remote Similarity NPC87141
0.6769 Remote Similarity NPC188292
0.6739 Remote Similarity NPC12889
0.6727 Remote Similarity NPC20934
0.6727 Remote Similarity NPC220191
0.6727 Remote Similarity NPC288381
0.6721 Remote Similarity NPC79756
0.6667 Remote Similarity NPC295777
0.6667 Remote Similarity NPC69898
0.6667 Remote Similarity NPC7029
0.6667 Remote Similarity NPC24833
0.6667 Remote Similarity NPC474141
0.6667 Remote Similarity NPC139056
0.6667 Remote Similarity NPC262673
0.6667 Remote Similarity NPC256846
0.6667 Remote Similarity NPC150162
0.6667 Remote Similarity NPC471958
0.6667 Remote Similarity NPC320421
0.6667 Remote Similarity NPC220061
0.6667 Remote Similarity NPC212210
0.6615 Remote Similarity NPC203335
0.6613 Remote Similarity NPC97322
0.6607 Remote Similarity NPC30433
0.6607 Remote Similarity NPC22329
0.6604 Remote Similarity NPC474202
0.6604 Remote Similarity NPC474362
0.66 Remote Similarity NPC12319
0.66 Remote Similarity NPC18205
0.66 Remote Similarity NPC101147
0.6567 Remote Similarity NPC291062
0.6567 Remote Similarity NPC94743
0.6557 Remote Similarity NPC274927
0.6557 Remote Similarity NPC472304
0.6557 Remote Similarity NPC276764
0.6557 Remote Similarity NPC259261
0.6557 Remote Similarity NPC106851
0.6557 Remote Similarity NPC329550
0.6557 Remote Similarity NPC203233
0.6552 Remote Similarity NPC100809
0.6552 Remote Similarity NPC300121
0.6552 Remote Similarity NPC209431
0.6545 Remote Similarity NPC267110
0.6531 Remote Similarity NPC130923
0.6522 Remote Similarity NPC304788
0.6522 Remote Similarity NPC266979
0.6515 Remote Similarity NPC155198
0.6508 Remote Similarity NPC165695
0.65 Remote Similarity NPC115385
0.65 Remote Similarity NPC193695
0.6471 Remote Similarity NPC54123
0.6471 Remote Similarity NPC7754
0.6471 Remote Similarity NPC270170
0.6471 Remote Similarity NPC33489
0.6462 Remote Similarity NPC137163
0.6462 Remote Similarity NPC197089
0.6452 Remote Similarity NPC235242
0.6452 Remote Similarity NPC25853
0.6452 Remote Similarity NPC122521
0.6452 Remote Similarity NPC174447
0.6452 Remote Similarity NPC143857
0.6452 Remote Similarity NPC229252
0.6452 Remote Similarity NPC251042
0.6452 Remote Similarity NPC127582
0.6441 Remote Similarity NPC188789
0.6418 Remote Similarity NPC469914
0.6418 Remote Similarity NPC136473
0.64 Remote Similarity NPC33761
0.6393 Remote Similarity NPC27610
0.6393 Remote Similarity NPC94991
0.6393 Remote Similarity NPC170799
0.6393 Remote Similarity NPC56905
0.6393 Remote Similarity NPC266295
0.6393 Remote Similarity NPC30215
0.6393 Remote Similarity NPC308108
0.6393 Remote Similarity NPC60772
0.6379 Remote Similarity NPC217188
0.6377 Remote Similarity NPC276336
0.6377 Remote Similarity NPC153660
0.6364 Remote Similarity NPC475523
0.6364 Remote Similarity NPC91495
0.6364 Remote Similarity NPC243272
0.6349 Remote Similarity NPC213152
0.6349 Remote Similarity NPC260573
0.6349 Remote Similarity NPC40082
0.6349 Remote Similarity NPC475795
0.6349 Remote Similarity NPC269737
0.6349 Remote Similarity NPC151648
0.6346 Remote Similarity NPC287397
0.6346 Remote Similarity NPC67920
0.6346 Remote Similarity NPC208936
0.6346 Remote Similarity NPC298710
0.6324 Remote Similarity NPC2634
0.6324 Remote Similarity NPC265782
0.6324 Remote Similarity NPC251929
0.6316 Remote Similarity NPC48162
0.6308 Remote Similarity NPC470688
0.6308 Remote Similarity NPC470329
0.6296 Remote Similarity NPC117572
0.6296 Remote Similarity NPC239754
0.629 Remote Similarity NPC285594
0.629 Remote Similarity NPC96551
0.6286 Remote Similarity NPC264178
0.6286 Remote Similarity NPC309852
0.6271 Remote Similarity NPC129710
0.6271 Remote Similarity NPC474127
0.6269 Remote Similarity NPC125578
0.6269 Remote Similarity NPC310992
0.6269 Remote Similarity NPC263382
0.6269 Remote Similarity NPC134385
0.6269 Remote Similarity NPC146376
0.625 Remote Similarity NPC190049
0.625 Remote Similarity NPC197238
0.625 Remote Similarity NPC5413

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC15325 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
0.7447 Intermediate Similarity NPD5783 Phase 3
0.6984 Remote Similarity NPD6108 Clinical (unspecified phase)
0.678 Remote Similarity NPD8779 Phase 3
0.6774 Remote Similarity NPD2664 Clinical (unspecified phase)
0.6724 Remote Similarity NPD4627 Clinical (unspecified phase)
0.6604 Remote Similarity NPD3174 Discontinued
0.6462 Remote Similarity NPD7331 Phase 2
0.6393 Remote Similarity NPD287 Approved
0.6364 Remote Similarity NPD3709 Clinical (unspecified phase)
0.6324 Remote Similarity NPD4691 Approved
0.6296 Remote Similarity NPD4222 Approved
0.6296 Remote Similarity NPD39 Approved
0.6286 Remote Similarity NPD4058 Approved
0.625 Remote Similarity NPD4220 Pre-registration
0.625 Remote Similarity NPD3173 Approved
0.6176 Remote Similarity NPD4137 Phase 3
0.6087 Remote Similarity NPD4747 Approved
0.6071 Remote Similarity NPD5343 Approved
0.6056 Remote Similarity NPD4687 Approved
0.6034 Remote Similarity NPD28 Approved
0.6034 Remote Similarity NPD29 Approved
0.6 Remote Similarity NPD5276 Approved
0.5926 Remote Similarity NPD5326 Phase 3
0.5846 Remote Similarity NPD4191 Approved
0.5846 Remote Similarity NPD4192 Approved
0.5846 Remote Similarity NPD4194 Approved
0.5846 Remote Similarity NPD4193 Approved
0.5833 Remote Similarity NPD3172 Approved
0.5833 Remote Similarity NPD5733 Approved
0.5821 Remote Similarity NPD7341 Phase 2
0.5818 Remote Similarity NPD6096 Approved
0.5818 Remote Similarity NPD6097 Approved
0.5811 Remote Similarity NPD4756 Discovery
0.5763 Remote Similarity NPD6927 Phase 3
0.5738 Remote Similarity NPD3196 Approved
0.5738 Remote Similarity NPD539 Approved
0.5738 Remote Similarity NPD3195 Phase 2
0.5738 Remote Similarity NPD3194 Approved
0.5738 Remote Similarity NPD4266 Approved
0.5735 Remote Similarity NPD3704 Approved
0.5672 Remote Similarity NPD1984 Approved

Structure

External Identifiers

PubChem CID   44140144
ChEMBL   CHEMBL560162
ZINC  

Physicochemical Properties

Molecular Weight:  242.13
ALogP:  2.7272
MLogP:  3
XLogP:  2.468
# Rotatable Bonds:  2
Polar Surface Area:  34.14
# H-Bond Aceptor:  2
# H-Bond Donor:  0
# Rings:  2
# Heavy Atoms:  18

Download Data

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