Natural Product: NPC28241

Natural Product ID:  NPC28241
Common Name:   Flemiphilippinin A
IUPAC Name:   7-(3,4-dihydroxyphenyl)-5-hydroxy-2,2-dimethyl-3-(2-methylbut-3-en-2-yl)-10-(3-methylbut-2-enyl)pyrano[3,2-g]chromen-6-one
Synonyms:  
Molecular Formula:   C30H32O6
Standard InCHIKey:  VBTMMYSERQFPPK-UHFFFAOYSA-N
Standard InCHI:  InChI=1S/C30H32O6/c1-8-29(4,5)23-14-19-25(33)24-26(34)20(17-10-12-21(31)22(32)13-17)15-35-28(24)18(11-9-16(2)3)27(19)36-30(23,6)7/h8-10,12-15,31-33H,1,11H2,2-7H3
Canonical SMILES:  C=CC(C1=Cc2c(OC1(C)C)c(CC=C(C)C)c1c(c2O)c(=O)c(co1)c1ccc(c(c1)O)O)(C)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
NPO4010 Flemingia philippinensis Species Fabaceae Eukaryota Roots PMID[24054487]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT344 Individual Protein Sialidase Clostridium perfringens Ki = 1360 nM 11809054
NPT344 Individual Protein Sialidase Clostridium perfringens IC50 = 1630 nM 23398362

  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 NPC28241 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
0.9801 High Similarity NPC170026
0.9801 High Similarity NPC282307
0.9673 High Similarity NPC74178
0.9673 High Similarity NPC184755
0.9539 High Similarity NPC170492
0.9536 High Similarity NPC154345
0.9481 High Similarity NPC218871
0.9481 High Similarity NPC52889
0.9481 High Similarity NPC476630
0.9481 High Similarity NPC237418
0.9477 High Similarity NPC234255
0.947 High Similarity NPC188403
0.9423 High Similarity NPC234644
0.9423 High Similarity NPC57715
0.9423 High Similarity NPC198829
0.9419 High Similarity NPC204879
0.9419 High Similarity NPC469658
0.9416 High Similarity NPC276444
0.9416 High Similarity NPC472455
0.9416 High Similarity NPC471985
0.9404 High Similarity NPC171916
0.9404 High Similarity NPC38545
0.9367 High Similarity NPC303174
0.9363 High Similarity NPC261470
0.9363 High Similarity NPC78332
0.9363 High Similarity NPC194427
0.9359 High Similarity NPC476280
0.9359 High Similarity NPC328102
0.9359 High Similarity NPC119209
0.9359 High Similarity NPC118256
0.9359 High Similarity NPC476283
0.9359 High Similarity NPC297212
0.9359 High Similarity NPC188433
0.9359 High Similarity NPC192686
0.9355 High Similarity NPC218313
0.9355 High Similarity NPC474681
0.9355 High Similarity NPC78071
0.9355 High Similarity NPC471209
0.9351 High Similarity NPC472280
0.9346 High Similarity NPC237994
0.9342 High Similarity NPC3825
0.9342 High Similarity NPC88804
0.9338 High Similarity NPC203077
0.9338 High Similarity NPC238279
0.9338 High Similarity NPC166036
0.9313 High Similarity NPC288813
0.9313 High Similarity NPC165456
0.9304 High Similarity NPC476295
0.9304 High Similarity NPC12461
0.9299 High Similarity NPC471210
0.9299 High Similarity NPC259456
0.9299 High Similarity NPC474038
0.9295 High Similarity NPC197856
0.9295 High Similarity NPC46736
0.9295 High Similarity NPC187792
0.929 High Similarity NPC133970
0.929 High Similarity NPC3980
0.929 High Similarity NPC5322
0.929 High Similarity NPC6633
0.9286 High Similarity NPC213896
0.9286 High Similarity NPC192083
0.9286 High Similarity NPC298692
0.9286 High Similarity NPC74924
0.9281 High Similarity NPC256406
0.9272 High Similarity NPC97716
0.9272 High Similarity NPC104406
0.9272 High Similarity NPC201731
0.9272 High Similarity NPC79469
0.9272 High Similarity NPC237635
0.9272 High Similarity NPC24673
0.9245 High Similarity NPC50960
0.9241 High Similarity NPC206605
0.9241 High Similarity NPC474033
0.9241 High Similarity NPC83922
0.9241 High Similarity NPC474150
0.9241 High Similarity NPC474034
0.9241 High Similarity NPC472448
0.9241 High Similarity NPC474162
0.9236 High Similarity NPC474960
0.9236 High Similarity NPC475784
0.9236 High Similarity NPC476980
0.9231 High Similarity NPC219867
0.9231 High Similarity NPC161960
0.9231 High Similarity NPC27337
0.9231 High Similarity NPC473272
0.9231 High Similarity NPC291508
0.9231 High Similarity NPC187745
0.9231 High Similarity NPC284820
0.9231 High Similarity NPC304008
0.9231 High Similarity NPC180011
0.9226 High Similarity NPC117992
0.9226 High Similarity NPC321779
0.9226 High Similarity NPC57674
0.9226 High Similarity NPC230149
0.9226 High Similarity NPC168247
0.9226 High Similarity NPC200246
0.9226 High Similarity NPC152951
0.9226 High Similarity NPC256925
0.9226 High Similarity NPC133392
0.9221 High Similarity NPC471982
0.9221 High Similarity NPC106976
0.9221 High Similarity NPC157784
0.9221 High Similarity NPC323626
0.9221 High Similarity NPC63187
0.9221 High Similarity NPC37684
0.9221 High Similarity NPC249570
0.9221 High Similarity NPC324233
0.9216 High Similarity NPC189270
0.9216 High Similarity NPC5840
0.9211 High Similarity NPC266572
0.9211 High Similarity NPC6511
0.9182 High Similarity NPC186686
0.9182 High Similarity NPC306321
0.9182 High Similarity NPC472625
0.9182 High Similarity NPC303460
0.9177 High Similarity NPC167678
0.9177 High Similarity NPC187354
0.9177 High Similarity NPC29876
0.9177 High Similarity NPC26326
0.9177 High Similarity NPC471211
0.9177 High Similarity NPC134783
0.9177 High Similarity NPC472275
0.9177 High Similarity NPC472632
0.9177 High Similarity NPC471212
0.9177 High Similarity NPC472634
0.9172 High Similarity NPC53545
0.9172 High Similarity NPC172770
0.9172 High Similarity NPC185258
0.9172 High Similarity NPC210459
0.9172 High Similarity NPC117418
0.9167 High Similarity NPC278778
0.9167 High Similarity NPC209614
0.9167 High Similarity NPC470328
0.9167 High Similarity NPC291878
0.9167 High Similarity NPC472626
0.9167 High Similarity NPC115853
0.9167 High Similarity NPC195796
0.9167 High Similarity NPC470600
0.9167 High Similarity NPC35038
0.9161 High Similarity NPC227337
0.9161 High Similarity NPC273462
0.9161 High Similarity NPC49402
0.9161 High Similarity NPC476631
0.9161 High Similarity NPC70433
0.9161 High Similarity NPC33051
0.9156 High Similarity NPC205046
0.9156 High Similarity NPC59162
0.9156 High Similarity NPC304295
0.915 High Similarity NPC105512
0.915 High Similarity NPC474052
0.9145 High Similarity NPC108406
0.9145 High Similarity NPC95864
0.9136 High Similarity NPC472276
0.913 High Similarity NPC218226
0.9125 High Similarity NPC470773
0.9125 High Similarity NPC293319
0.9125 High Similarity NPC472277
0.9119 High Similarity NPC329760
0.9119 High Similarity NPC476247
0.9114 High Similarity NPC174953
0.9114 High Similarity NPC204290
0.9114 High Similarity NPC321399
0.9114 High Similarity NPC471973
0.9114 High Similarity NPC472630
0.9114 High Similarity NPC472624
0.9114 High Similarity NPC472631
0.9108 High Similarity NPC273843
0.9108 High Similarity NPC474055
0.9108 High Similarity NPC67876
0.9108 High Similarity NPC79053
0.9108 High Similarity NPC476981
0.9108 High Similarity NPC472963
0.9108 High Similarity NPC472598
0.9103 High Similarity NPC226025
0.9103 High Similarity NPC470327
0.9103 High Similarity NPC113906
0.9103 High Similarity NPC45849
0.9103 High Similarity NPC200761
0.9103 High Similarity NPC477503
0.9103 High Similarity NPC470681
0.9097 High Similarity NPC257648
0.9097 High Similarity NPC60972
0.9097 High Similarity NPC39732
0.9097 High Similarity NPC472912
0.9097 High Similarity NPC477231
0.9091 High Similarity NPC472633
0.9091 High Similarity NPC85131
0.9085 High Similarity NPC119059
0.9085 High Similarity NPC132592
0.9085 High Similarity NPC194653
0.9085 High Similarity NPC80710
0.9085 High Similarity NPC139364
0.9085 High Similarity NPC160821
0.9085 High Similarity NPC254702
0.9085 High Similarity NPC3036
0.9085 High Similarity NPC203747
0.9073 High Similarity NPC38065
0.9073 High Similarity NPC242893
0.9068 High Similarity NPC43319
0.9068 High Similarity NPC39091

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC28241 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
0.9286 High Similarity NPD2393 Clinical (unspecified phase)
0.8974 High Similarity NPD1934 Approved
0.8947 High Similarity NPD1511 Approved
0.8917 High Similarity NPD2801 Approved
0.8831 High Similarity NPD1512 Approved
0.8805 High Similarity NPD3882 Suspended
0.8766 High Similarity NPD4378 Clinical (unspecified phase)
0.8766 High Similarity NPD7410 Clinical (unspecified phase)
0.8726 High Similarity NPD4380 Phase 2
0.8659 High Similarity NPD6166 Phase 2
0.8659 High Similarity NPD6168 Clinical (unspecified phase)
0.8659 High Similarity NPD6167 Clinical (unspecified phase)
0.8634 High Similarity NPD7075 Discontinued
0.8614 High Similarity NPD7054 Approved
0.8563 High Similarity NPD7472 Approved
0.8563 High Similarity NPD7074 Phase 3
0.8562 High Similarity NPD7096 Clinical (unspecified phase)
0.8562 High Similarity NPD7819 Suspended
0.8554 High Similarity NPD3818 Discontinued
0.8543 High Similarity NPD1510 Phase 2
0.8509 High Similarity NPD8443 Clinical (unspecified phase)
0.8509 High Similarity NPD3817 Phase 2
0.8497 Intermediate Similarity NPD1549 Phase 2
0.8487 Intermediate Similarity NPD2796 Approved
0.8462 Intermediate Similarity NPD7251 Discontinued
0.8457 Intermediate Similarity NPD4868 Clinical (unspecified phase)
0.8438 Intermediate Similarity NPD7411 Suspended
0.8431 Intermediate Similarity NPD1552 Clinical (unspecified phase)
0.8431 Intermediate Similarity NPD1550 Clinical (unspecified phase)
0.8415 Intermediate Similarity NPD5494 Approved
0.8405 Intermediate Similarity NPD4381 Clinical (unspecified phase)
0.8402 Intermediate Similarity NPD6797 Phase 2
0.8385 Intermediate Similarity NPD6801 Discontinued
0.8304 Intermediate Similarity NPD7808 Phase 3
0.8284 Intermediate Similarity NPD7804 Clinical (unspecified phase)
0.8278 Intermediate Similarity NPD1240 Approved
0.8261 Intermediate Similarity NPD6599 Discontinued
0.8232 Intermediate Similarity NPD7768 Phase 2
0.8228 Intermediate Similarity NPD6799 Approved
0.8198 Intermediate Similarity NPD4338 Clinical (unspecified phase)
0.817 Intermediate Similarity NPD1607 Approved
0.8166 Intermediate Similarity NPD7473 Discontinued
0.8158 Intermediate Similarity NPD943 Approved
0.8144 Intermediate Similarity NPD6959 Discontinued
0.8107 Intermediate Similarity NPD7852 Clinical (unspecified phase)
0.8095 Intermediate Similarity NPD6232 Discontinued
0.8075 Intermediate Similarity NPD5403 Approved
0.807 Intermediate Similarity NPD5844 Phase 1
0.8061 Intermediate Similarity NPD5402 Approved
0.8038 Intermediate Similarity NPD3750 Approved
0.8024 Intermediate Similarity NPD919 Approved
0.7977 Intermediate Similarity NPD7993 Clinical (unspecified phase)
0.7975 Intermediate Similarity NPD2800 Approved
0.7975 Intermediate Similarity NPD7421 Clinical (unspecified phase)
0.795 Intermediate Similarity NPD5401 Approved
0.7935 Intermediate Similarity NPD6651 Approved
0.7931 Intermediate Similarity NPD6559 Discontinued
0.7929 Intermediate Similarity NPD1247 Approved
0.7911 Intermediate Similarity NPD970 Clinical (unspecified phase)
0.7898 Intermediate Similarity NPD6099 Approved
0.7898 Intermediate Similarity NPD6100 Approved
0.7898 Intermediate Similarity NPD2935 Discontinued
0.7892 Intermediate Similarity NPD1465 Phase 2
0.7857 Intermediate Similarity NPD3749 Approved
0.7812 Intermediate Similarity NPD4628 Phase 3
0.7812 Intermediate Similarity NPD6398 Clinical (unspecified phase)
0.7792 Intermediate Similarity NPD6859 Clinical (unspecified phase)
0.7785 Intermediate Similarity NPD1551 Phase 2
0.7756 Intermediate Similarity NPD230 Phase 1
0.775 Intermediate Similarity NPD1243 Approved
0.7744 Intermediate Similarity NPD920 Approved
0.7733 Intermediate Similarity NPD3926 Phase 2
0.773 Intermediate Similarity NPD2533 Approved
0.773 Intermediate Similarity NPD2534 Approved
0.773 Intermediate Similarity NPD2532 Approved
0.7722 Intermediate Similarity NPD3748 Approved
0.7716 Intermediate Similarity NPD643 Clinical (unspecified phase)
0.7692 Intermediate Similarity NPD1613 Approved
0.7692 Intermediate Similarity NPD1612 Clinical (unspecified phase)
0.7684 Intermediate Similarity NPD4419 Clinical (unspecified phase)
0.767 Intermediate Similarity NPD5953 Discontinued
0.7662 Intermediate Similarity NPD1529 Clinical (unspecified phase)
0.7657 Intermediate Similarity NPD7286 Phase 2
0.7636 Intermediate Similarity NPD6980 Clinical (unspecified phase)
0.7634 Intermediate Similarity NPD7501 Clinical (unspecified phase)
0.7624 Intermediate Similarity NPD8397 Clinical (unspecified phase)
0.7622 Intermediate Similarity NPD642 Clinical (unspecified phase)
0.761 Intermediate Similarity NPD1509 Clinical (unspecified phase)
0.761 Intermediate Similarity NPD2799 Discontinued
0.7597 Intermediate Similarity NPD1530 Clinical (unspecified phase)
0.7593 Intermediate Similarity NPD1878 Clinical (unspecified phase)
0.7568 Intermediate Similarity NPD8090 Clinical (unspecified phase)
0.7564 Intermediate Similarity NPD2313 Discontinued
0.7564 Intermediate Similarity NPD4907 Clinical (unspecified phase)
0.7545 Intermediate Similarity NPD7458 Discontinued
0.7545 Intermediate Similarity NPD3226 Approved
0.7541 Intermediate Similarity NPD7879 Clinical (unspecified phase)
0.7516 Intermediate Similarity NPD2344 Approved
0.75 Intermediate Similarity NPD3027 Phase 3
0.75 Intermediate Similarity NPD651 Clinical (unspecified phase)
0.7459 Intermediate Similarity NPD8055 Clinical (unspecified phase)
0.7455 Intermediate Similarity NPD7390 Discontinued
0.7436 Intermediate Similarity NPD6832 Phase 2
0.7436 Intermediate Similarity NPD4908 Phase 1
0.7421 Intermediate Similarity NPD447 Suspended
0.7421 Intermediate Similarity NPD5124 Phase 1
0.7421 Intermediate Similarity NPD5123 Clinical (unspecified phase)
0.7418 Intermediate Similarity NPD8434 Phase 2
0.7414 Intermediate Similarity NPD7199 Phase 2
0.741 Intermediate Similarity NPD7004 Clinical (unspecified phase)
0.7407 Intermediate Similarity NPD2346 Discontinued
0.7401 Intermediate Similarity NPD3751 Discontinued
0.7396 Intermediate Similarity NPD7584 Approved
0.7391 Intermediate Similarity NPD7033 Discontinued
0.7378 Intermediate Similarity NPD8166 Discontinued
0.7372 Intermediate Similarity NPD9494 Approved
0.7366 Intermediate Similarity NPD4360 Phase 2
0.7366 Intermediate Similarity NPD4363 Phase 3
0.7355 Intermediate Similarity NPD1203 Approved
0.7349 Intermediate Similarity NPD6143 Clinical (unspecified phase)
0.7348 Intermediate Similarity NPD8313 Approved
0.7348 Intermediate Similarity NPD8312 Approved
0.7342 Intermediate Similarity NPD6410 Clinical (unspecified phase)
0.7338 Intermediate Similarity NPD4379 Clinical (unspecified phase)
0.7333 Intermediate Similarity NPD2309 Approved
0.7333 Intermediate Similarity NPD6190 Approved
0.7333 Intermediate Similarity NPD7685 Pre-registration
0.733 Intermediate Similarity NPD7184 Clinical (unspecified phase)
0.732 Intermediate Similarity NPD1547 Clinical (unspecified phase)
0.7312 Intermediate Similarity NPD1933 Approved
0.7308 Intermediate Similarity NPD2798 Approved
0.7305 Intermediate Similarity NPD7422 Clinical (unspecified phase)
0.7299 Intermediate Similarity NPD6234 Discontinued
0.7285 Intermediate Similarity NPD1548 Phase 1
0.7284 Intermediate Similarity NPD4308 Phase 3
0.7278 Intermediate Similarity NPD1653 Approved
0.7278 Intermediate Similarity NPD4625 Phase 3
0.7273 Intermediate Similarity NPD3787 Discontinued
0.7235 Intermediate Similarity NPD5808 Clinical (unspecified phase)
0.7234 Intermediate Similarity NPD4362 Clinical (unspecified phase)
0.7234 Intermediate Similarity NPD4361 Phase 2
0.7233 Intermediate Similarity NPD3268 Approved
0.7228 Intermediate Similarity NPD8150 Discontinued
0.7209 Intermediate Similarity NPD6844 Discontinued
0.7208 Intermediate Similarity NPD1610 Phase 2
0.7207 Intermediate Similarity NPD7228 Approved
0.7205 Intermediate Similarity NPD1899 Clinical (unspecified phase)
0.7191 Intermediate Similarity NPD7784 Clinical (unspecified phase)
0.7179 Intermediate Similarity NPD3225 Approved
0.7175 Intermediate Similarity NPD5711 Approved
0.7175 Intermediate Similarity NPD7229 Phase 3
0.7175 Intermediate Similarity NPD5710 Approved
0.7173 Intermediate Similarity NPD6782 Approved
0.7173 Intermediate Similarity NPD6779 Approved
0.7173 Intermediate Similarity NPD6777 Approved
0.7173 Intermediate Similarity NPD6778 Approved
0.7173 Intermediate Similarity NPD6781 Approved
0.7173 Intermediate Similarity NPD6780 Approved
0.7173 Intermediate Similarity NPD6776 Approved
0.7169 Intermediate Similarity NPD7003 Approved
0.7168 Intermediate Similarity NPD5761 Phase 2
0.7168 Intermediate Similarity NPD5760 Phase 2
0.7161 Intermediate Similarity NPD9717 Approved
0.7161 Intermediate Similarity NPD3972 Approved
0.716 Intermediate Similarity NPD6273 Approved
0.7151 Intermediate Similarity NPD7615 Clinical (unspecified phase)
0.715 Intermediate Similarity NPD7435 Discontinued
0.7143 Intermediate Similarity NPD6104 Discontinued
0.7143 Intermediate Similarity NPD8151 Discontinued
0.7134 Intermediate Similarity NPD5408 Approved
0.7134 Intermediate Similarity NPD5406 Approved
0.7134 Intermediate Similarity NPD5404 Approved
0.7134 Intermediate Similarity NPD2797 Approved
0.7134 Intermediate Similarity NPD5405 Approved
0.7127 Intermediate Similarity NPD1729 Discontinued
0.7126 Intermediate Similarity NPD4288 Approved
0.7119 Intermediate Similarity NPD8127 Discontinued
0.711 Intermediate Similarity NPD37 Approved
0.7097 Intermediate Similarity NPD422 Phase 1
0.7086 Intermediate Similarity NPD4967 Phase 2
0.7086 Intermediate Similarity NPD4966 Approved
0.7086 Intermediate Similarity NPD4965 Approved
0.7063 Intermediate Similarity NPD7095 Approved
0.7062 Intermediate Similarity NPD7697 Approved
0.7062 Intermediate Similarity NPD7698 Approved
0.7062 Intermediate Similarity NPD7696 Phase 3
0.7052 Intermediate Similarity NPD5890 Approved
0.7052 Intermediate Similarity NPD5889 Approved
0.7051 Intermediate Similarity NPD1608 Approved
0.7051 Intermediate Similarity NPD9269 Phase 2
0.7039 Intermediate Similarity NPD5242 Approved
0.7037 Intermediate Similarity NPD4307 Phase 2
0.7037 Intermediate Similarity NPD4060 Phase 1
0.7026 Intermediate Similarity NPD7871 Phase 2
0.7026 Intermediate Similarity NPD7870 Phase 2
0.7025 Intermediate Similarity NPD1470 Approved
0.7019 Intermediate Similarity NPD411 Approved
0.7019 Intermediate Similarity NPD6798 Discontinued
0.7017 Intermediate Similarity NPD7177 Discontinued
0.701 Intermediate Similarity NPD6823 Phase 2

Structure

External Identifiers

PubChem CID   10074228
ChEMBL   CHEMBL2442948
ZINC  

Physicochemical Properties

Molecular Weight:  488.22
ALogP:  2.1637
MLogP:  4.1
XLogP:  5.901
# Rotatable Bonds:  14
Polar Surface Area:  96.22
# H-Bond Aceptor:  1
# H-Bond Donor:  3
# Rings:  4
# Heavy Atoms:  36

Download Data

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