Natural Product: NPC471675

Natural Product ID:  NPC471675
Common Name:   1-[5-Hydroxy-8-(2-Hydroxypropan-2-Yl)-2,2-Dimethyl-8,9-Dihydrofuro[2,3-H]Chromen-6-Yl]-3-(4-Methoxyphenyl)Propan-1-One
IUPAC Name:   1-[5-hydroxy-8-(2-hydroxypropan-2-yl)-2,2-dimethyl-8,9-dihydrofuro[2,3-h]chromen-6-yl]-3-(4-methoxyphenyl)propan-1-one
Synonyms:  
Molecular Formula:   C26H30O6
Standard InCHIKey:  ICFJHRYTUSANOL-UHFFFAOYSA-N
Standard InCHI:  InChI=1S/C26H30O6/c1-25(2)13-12-17-22(28)21(19(27)11-8-15-6-9-16(30-5)10-7-15)24-18(23(17)32-25)14-20(31-24)26(3,4)29/h6-7,9-10,12-13,20,28-29H,8,11,14H2,1-5H3
Canonical SMILES:  COc1ccc(cc1)CCC(=O)c1c2OC(Cc2c2c(c1O)C=CC(O2)(C)C)C(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[24412339]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT43 Individual Protein Tyrosinase Agaricus bisporus Ratio IC50 = 10 17850214
NPT43 Individual Protein Tyrosinase Agaricus bisporus IC50 = 1280 nM 17210772
NPT43 Individual Protein Tyrosinase Agaricus bisporus Ki = 630 nM 26358281
NPT43 Individual Protein Tyrosinase Agaricus bisporus Ki = 2740 nM 18725450
NPT43 Individual Protein Tyrosinase Agaricus bisporus IC50 = 5220 nM 20498315

  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 NPC471675 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
0.9931 High Similarity NPC31627
0.9931 High Similarity NPC327269
0.9931 High Similarity NPC476238
0.9862 High Similarity NPC472636
0.9795 High Similarity NPC285623
0.9795 High Similarity NPC473996
0.9793 High Similarity NPC472421
0.9726 High Similarity NPC472423
0.9726 High Similarity NPC474744
0.9726 High Similarity NPC472580
0.9726 High Similarity NPC474772
0.9662 High Similarity NPC279218
0.9662 High Similarity NPC108937
0.966 High Similarity NPC477957
0.9655 High Similarity NPC168085
0.9597 High Similarity NPC474738
0.9597 High Similarity NPC129053
0.9597 High Similarity NPC474609
0.9597 High Similarity NPC475797
0.9597 High Similarity NPC78554
0.9597 High Similarity NPC469936
0.9597 High Similarity NPC109967
0.9597 High Similarity NPC321372
0.9595 High Similarity NPC472583
0.9595 High Similarity NPC223701
0.9595 High Similarity NPC7989
0.9592 High Similarity NPC244577
0.9592 High Similarity NPC263384
0.9592 High Similarity NPC472420
0.9592 High Similarity NPC471677
0.9592 High Similarity NPC472422
0.9592 High Similarity NPC471676
0.9589 High Similarity NPC317492
0.9586 High Similarity NPC14875
0.9586 High Similarity NPC202494
0.9536 High Similarity NPC328102
0.953 High Similarity NPC304207
0.953 High Similarity NPC470681
0.953 High Similarity NPC217706
0.953 High Similarity NPC259710
0.953 High Similarity NPC48579
0.953 High Similarity NPC207809
0.9527 High Similarity NPC161881
0.9527 High Similarity NPC150123
0.9527 High Similarity NPC475790
0.9527 High Similarity NPC10807
0.9527 High Similarity NPC56232
0.9527 High Similarity NPC244583
0.9524 High Similarity NPC476185
0.9524 High Similarity NPC321896
0.9463 High Similarity NPC311579
0.9463 High Similarity NPC248793
0.9463 High Similarity NPC469405
0.9463 High Similarity NPC180301
0.9463 High Similarity NPC236756
0.9459 High Similarity NPC289774
0.9459 High Similarity NPC209846
0.9459 High Similarity NPC254412
0.9459 High Similarity NPC262038
0.9459 High Similarity NPC328740
0.9459 High Similarity NPC262039
0.9459 High Similarity NPC319910
0.9459 High Similarity NPC474021
0.9459 High Similarity NPC474023
0.9459 High Similarity NPC477897
0.9459 High Similarity NPC278476
0.9456 High Similarity NPC472628
0.9456 High Similarity NPC5173
0.9452 High Similarity NPC473077
0.9452 High Similarity NPC296998
0.9452 High Similarity NPC222298
0.9452 High Similarity NPC85773
0.9452 High Similarity NPC51070
0.9452 High Similarity NPC472627
0.9448 High Similarity NPC297788
0.9448 High Similarity NPC224714
0.9408 High Similarity NPC472624
0.94 High Similarity NPC111341
0.94 High Similarity NPC477958
0.94 High Similarity NPC476169
0.94 High Similarity NPC304745
0.9396 High Similarity NPC35567
0.9396 High Similarity NPC138288
0.9396 High Similarity NPC243171
0.9396 High Similarity NPC210597
0.9396 High Similarity NPC171651
0.9396 High Similarity NPC216035
0.9396 High Similarity NPC217149
0.9392 High Similarity NPC105136
0.9392 High Similarity NPC472633
0.9392 High Similarity NPC61258
0.9388 High Similarity NPC10097
0.9384 High Similarity NPC67805
0.9384 High Similarity NPC312973
0.9384 High Similarity NPC124729
0.9384 High Similarity NPC316769
0.9384 High Similarity NPC472629
0.9384 High Similarity NPC214774
0.9384 High Similarity NPC474302
0.9384 High Similarity NPC142405
0.9384 High Similarity NPC267375
0.9384 High Similarity NPC475052
0.9384 High Similarity NPC88964
0.9384 High Similarity NPC20488
0.9384 High Similarity NPC301276
0.9384 High Similarity NPC83357
0.9384 High Similarity NPC470647
0.9384 High Similarity NPC246948
0.9384 High Similarity NPC176229
0.9384 High Similarity NPC54577
0.9384 High Similarity NPC195621
0.9384 High Similarity NPC111786
0.9379 High Similarity NPC316816
0.9379 High Similarity NPC214166
0.9379 High Similarity NPC478086
0.9375 High Similarity NPC74397
0.9346 High Similarity NPC92589
0.9338 High Similarity NPC10754
0.9338 High Similarity NPC20530
0.9338 High Similarity NPC215917
0.9333 High Similarity NPC326592
0.9333 High Similarity NPC268193
0.9333 High Similarity NPC293286
0.9333 High Similarity NPC209760
0.9333 High Similarity NPC112701
0.9333 High Similarity NPC100134
0.9333 High Similarity NPC109594
0.9329 High Similarity NPC290671
0.9324 High Similarity NPC89442
0.9324 High Similarity NPC139966
0.9324 High Similarity NPC307052
0.932 High Similarity NPC104406
0.932 High Similarity NPC47388
0.932 High Similarity NPC97716
0.932 High Similarity NPC91902
0.932 High Similarity NPC237635
0.932 High Similarity NPC79469
0.932 High Similarity NPC470670
0.932 High Similarity NPC24673
0.932 High Similarity NPC23728
0.932 High Similarity NPC473133
0.932 High Similarity NPC283234
0.932 High Similarity NPC110303
0.932 High Similarity NPC472918
0.932 High Similarity NPC201731
0.9315 High Similarity NPC131579
0.9315 High Similarity NPC131568
0.9315 High Similarity NPC87486
0.9315 High Similarity NPC209040
0.9315 High Similarity NPC124780
0.9315 High Similarity NPC319752
0.9315 High Similarity NPC234629
0.9315 High Similarity NPC216538
0.9315 High Similarity NPC311741
0.9315 High Similarity NPC470890
0.9315 High Similarity NPC273538
0.931 High Similarity NPC226636
0.931 High Similarity NPC194432
0.931 High Similarity NPC130206
0.931 High Similarity NPC64915
0.931 High Similarity NPC107572
0.931 High Similarity NPC10937
0.931 High Similarity NPC76372
0.931 High Similarity NPC223500
0.931 High Similarity NPC78
0.931 High Similarity NPC11561
0.931 High Similarity NPC125855
0.931 High Similarity NPC228504
0.931 High Similarity NPC76338
0.931 High Similarity NPC324134
0.931 High Similarity NPC167624
0.931 High Similarity NPC161506
0.931 High Similarity NPC227579
0.931 High Similarity NPC32739
0.931 High Similarity NPC166482
0.931 High Similarity NPC328164
0.931 High Similarity NPC148757
0.931 High Similarity NPC296917
0.931 High Similarity NPC324436
0.931 High Similarity NPC66515
0.931 High Similarity NPC177354
0.931 High Similarity NPC37496
0.931 High Similarity NPC182852
0.931 High Similarity NPC40833
0.931 High Similarity NPC166934
0.931 High Similarity NPC306829
0.931 High Similarity NPC220998
0.931 High Similarity NPC265040
0.931 High Similarity NPC1089
0.9306 High Similarity NPC159275
0.9306 High Similarity NPC241100
0.9306 High Similarity NPC150522
0.9286 High Similarity NPC219861
0.9286 High Similarity NPC472402
0.9286 High Similarity NPC472635
0.9281 High Similarity NPC118256
0.9281 High Similarity NPC119209
0.9281 High Similarity NPC192686
0.9281 High Similarity NPC476283
0.9281 High Similarity NPC470810

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC471675 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
0.9315 High Similarity NPD4378 Clinical (unspecified phase)
0.9262 High Similarity NPD4380 Phase 2
0.9205 High Similarity NPD2393 Clinical (unspecified phase)
0.9026 High Similarity NPD7075 Discontinued
0.9013 High Similarity NPD1934 Approved
0.8966 High Similarity NPD1552 Clinical (unspecified phase)
0.8966 High Similarity NPD1550 Clinical (unspecified phase)
0.8954 High Similarity NPD7096 Clinical (unspecified phase)
0.8926 High Similarity NPD7410 Clinical (unspecified phase)
0.8904 High Similarity NPD1549 Phase 2
0.8903 High Similarity NPD4381 Clinical (unspecified phase)
0.8897 High Similarity NPD2796 Approved
0.8889 High Similarity NPD6801 Discontinued
0.8831 High Similarity NPD2801 Approved
0.8828 High Similarity NPD1510 Phase 2
0.8774 High Similarity NPD8443 Clinical (unspecified phase)
0.8758 High Similarity NPD7804 Clinical (unspecified phase)
0.8733 High Similarity NPD1511 Approved
0.8718 High Similarity NPD3882 Suspended
0.8696 High Similarity NPD3818 Discontinued
0.8618 High Similarity NPD1512 Approved
0.8609 High Similarity NPD6799 Approved
0.8581 High Similarity NPD7411 Suspended
0.8571 High Similarity NPD6167 Clinical (unspecified phase)
0.8571 High Similarity NPD6166 Phase 2
0.8571 High Similarity NPD6168 Clinical (unspecified phase)
0.8553 High Similarity NPD5494 Approved
0.8552 High Similarity NPD1240 Approved
0.8535 High Similarity NPD3817 Phase 2
0.8485 Intermediate Similarity NPD6559 Discontinued
0.8471 Intermediate Similarity NPD7819 Suspended
0.8467 Intermediate Similarity NPD2800 Approved
0.8435 Intermediate Similarity NPD1607 Approved
0.8415 Intermediate Similarity NPD7054 Approved
0.8397 Intermediate Similarity NPD6599 Discontinued
0.8385 Intermediate Similarity NPD6959 Discontinued
0.8364 Intermediate Similarity NPD7074 Phase 3
0.8364 Intermediate Similarity NPD7472 Approved
0.8323 Intermediate Similarity NPD920 Approved
0.8323 Intermediate Similarity NPD5403 Approved
0.8313 Intermediate Similarity NPD6797 Phase 2
0.8263 Intermediate Similarity NPD7251 Discontinued
0.825 Intermediate Similarity NPD7768 Phase 2
0.825 Intermediate Similarity NPD4868 Clinical (unspecified phase)
0.8232 Intermediate Similarity NPD7852 Clinical (unspecified phase)
0.8224 Intermediate Similarity NPD1243 Approved
0.8224 Intermediate Similarity NPD7421 Clinical (unspecified phase)
0.8214 Intermediate Similarity NPD4419 Clinical (unspecified phase)
0.8214 Intermediate Similarity NPD7808 Phase 3
0.8199 Intermediate Similarity NPD3749 Approved
0.8194 Intermediate Similarity NPD2532 Approved
0.8194 Intermediate Similarity NPD642 Clinical (unspecified phase)
0.8194 Intermediate Similarity NPD2533 Approved
0.8194 Intermediate Similarity NPD2534 Approved
0.8194 Intermediate Similarity NPD5401 Approved
0.8187 Intermediate Similarity NPD5402 Approved
0.8182 Intermediate Similarity NPD643 Clinical (unspecified phase)
0.817 Intermediate Similarity NPD3750 Approved
0.811 Intermediate Similarity NPD6232 Discontinued
0.8107 Intermediate Similarity NPD4338 Clinical (unspecified phase)
0.8072 Intermediate Similarity NPD7473 Discontinued
0.8052 Intermediate Similarity NPD4628 Phase 3
0.8049 Intermediate Similarity NPD1247 Approved
0.8041 Intermediate Similarity NPD6859 Clinical (unspecified phase)
0.8039 Intermediate Similarity NPD970 Clinical (unspecified phase)
0.8037 Intermediate Similarity NPD919 Approved
0.8026 Intermediate Similarity NPD1551 Phase 2
0.8026 Intermediate Similarity NPD2935 Discontinued
0.7976 Intermediate Similarity NPD5844 Phase 1
0.7974 Intermediate Similarity NPD2344 Approved
0.7961 Intermediate Similarity NPD7033 Discontinued
0.7947 Intermediate Similarity NPD6651 Approved
0.7919 Intermediate Similarity NPD2313 Discontinued
0.7882 Intermediate Similarity NPD5953 Discontinued
0.787 Intermediate Similarity NPD7286 Phase 2
0.7843 Intermediate Similarity NPD3748 Approved
0.7843 Intermediate Similarity NPD2799 Discontinued
0.7821 Intermediate Similarity NPD1878 Clinical (unspecified phase)
0.78 Intermediate Similarity NPD4907 Clinical (unspecified phase)
0.7778 Intermediate Similarity NPD7993 Clinical (unspecified phase)
0.7771 Intermediate Similarity NPD2309 Approved
0.7765 Intermediate Similarity NPD8090 Clinical (unspecified phase)
0.7753 Intermediate Similarity NPD4360 Phase 2
0.7753 Intermediate Similarity NPD4363 Phase 3
0.7738 Intermediate Similarity NPD3926 Phase 2
0.7709 Intermediate Similarity NPD4361 Phase 2
0.7709 Intermediate Similarity NPD4362 Clinical (unspecified phase)
0.7697 Intermediate Similarity NPD943 Approved
0.7697 Intermediate Similarity NPD1613 Approved
0.7697 Intermediate Similarity NPD1612 Clinical (unspecified phase)
0.7692 Intermediate Similarity NPD2424 Discontinued
0.7677 Intermediate Similarity NPD6099 Approved
0.7677 Intermediate Similarity NPD6100 Approved
0.7676 Intermediate Similarity NPD7584 Approved
0.7671 Intermediate Similarity NPD1547 Clinical (unspecified phase)
0.7667 Intermediate Similarity NPD4908 Phase 1
0.7654 Intermediate Similarity NPD3226 Approved
0.7647 Intermediate Similarity NPD5124 Phase 1
0.7647 Intermediate Similarity NPD5123 Clinical (unspecified phase)
0.764 Intermediate Similarity NPD6980 Clinical (unspecified phase)
0.764 Intermediate Similarity NPD7879 Clinical (unspecified phase)
0.7639 Intermediate Similarity NPD1548 Phase 1
0.7614 Intermediate Similarity NPD8434 Phase 2
0.7613 Intermediate Similarity NPD1509 Clinical (unspecified phase)
0.7584 Intermediate Similarity NPD1203 Approved
0.7576 Intermediate Similarity NPD1465 Phase 2
0.7574 Intermediate Similarity NPD5710 Approved
0.7574 Intermediate Similarity NPD5711 Approved
0.7566 Intermediate Similarity NPD6798 Discontinued
0.7566 Intermediate Similarity NPD3268 Approved
0.7562 Intermediate Similarity NPD7390 Discontinued
0.7561 Intermediate Similarity NPD7615 Clinical (unspecified phase)
0.7551 Intermediate Similarity NPD1610 Phase 2
0.755 Intermediate Similarity NPD1529 Clinical (unspecified phase)
0.755 Intermediate Similarity NPD6832 Phase 2
0.7533 Intermediate Similarity NPD2798 Approved
0.7532 Intermediate Similarity NPD2654 Approved
0.7532 Intermediate Similarity NPD6355 Discontinued
0.7516 Intermediate Similarity NPD2346 Discontinued
0.7515 Intermediate Similarity NPD7199 Phase 2
0.7514 Intermediate Similarity NPD1729 Discontinued
0.75 Intermediate Similarity NPD3751 Discontinued
0.75 Intermediate Similarity NPD4308 Phase 3
0.75 Intermediate Similarity NPD3027 Phase 3
0.75 Intermediate Similarity NPD6234 Discontinued
0.7485 Intermediate Similarity NPD2403 Approved
0.7484 Intermediate Similarity NPD6398 Clinical (unspecified phase)
0.7483 Intermediate Similarity NPD1530 Clinical (unspecified phase)
0.7471 Intermediate Similarity NPD7229 Phase 3
0.7471 Intermediate Similarity NPD3787 Discontinued
0.7467 Intermediate Similarity NPD2797 Approved
0.7453 Intermediate Similarity NPD6143 Clinical (unspecified phase)
0.7443 Intermediate Similarity NPD8313 Approved
0.7443 Intermediate Similarity NPD8312 Approved
0.7439 Intermediate Similarity NPD7458 Discontinued
0.7432 Intermediate Similarity NPD422 Phase 1
0.7427 Intermediate Similarity NPD7184 Clinical (unspecified phase)
0.7421 Intermediate Similarity NPD1652 Phase 2
0.7419 Intermediate Similarity NPD230 Phase 1
0.741 Intermediate Similarity NPD37 Approved
0.7407 Intermediate Similarity NPD7004 Clinical (unspecified phase)
0.7405 Intermediate Similarity NPD2343 Clinical (unspecified phase)
0.7403 Intermediate Similarity NPD6233 Phase 2
0.7386 Intermediate Similarity NPD4625 Phase 3
0.7383 Intermediate Similarity NPD9717 Approved
0.7381 Intermediate Similarity NPD4966 Approved
0.7381 Intermediate Similarity NPD4967 Phase 2
0.7381 Intermediate Similarity NPD4965 Approved
0.7371 Intermediate Similarity NPD3823 Discontinued
0.7365 Intermediate Similarity NPD8455 Phase 2
0.7365 Intermediate Similarity NPD5760 Phase 2
0.7365 Intermediate Similarity NPD5761 Phase 2
0.736 Intermediate Similarity NPD8055 Clinical (unspecified phase)
0.7351 Intermediate Similarity NPD6776 Approved
0.7351 Intermediate Similarity NPD7501 Clinical (unspecified phase)
0.7351 Intermediate Similarity NPD6778 Approved
0.7351 Intermediate Similarity NPD6779 Approved
0.7351 Intermediate Similarity NPD6782 Approved
0.7351 Intermediate Similarity NPD6777 Approved
0.7351 Intermediate Similarity NPD6781 Approved
0.7351 Intermediate Similarity NPD6780 Approved
0.7338 Intermediate Similarity NPD3764 Approved
0.7333 Intermediate Similarity NPD8397 Clinical (unspecified phase)
0.7308 Intermediate Similarity NPD1899 Clinical (unspecified phase)
0.7308 Intermediate Similarity NPD447 Suspended
0.7308 Intermediate Similarity NPD1933 Approved
0.7301 Intermediate Similarity NPD4662 Approved
0.7301 Intermediate Similarity NPD4661 Approved
0.7299 Intermediate Similarity NPD7893 Clinical (unspecified phase)
0.7296 Intermediate Similarity NPD6004 Phase 3
0.7296 Intermediate Similarity NPD6002 Phase 3
0.7296 Intermediate Similarity NPD6005 Phase 3
0.7296 Intermediate Similarity NPD6003 Clinical (unspecified phase)
0.7296 Intermediate Similarity NPD6006 Clinical (unspecified phase)
0.7285 Intermediate Similarity NPD3225 Approved
0.7283 Intermediate Similarity NPD7784 Clinical (unspecified phase)
0.7263 Intermediate Similarity NPD7585 Approved
0.7256 Intermediate Similarity NPD5049 Phase 3
0.7255 Intermediate Similarity NPD2861 Phase 2
0.7244 Intermediate Similarity NPD4307 Phase 2
0.7244 Intermediate Similarity NPD4060 Phase 1
0.7238 Intermediate Similarity NPD4287 Approved
0.7237 Intermediate Similarity NPD3266 Approved
0.7237 Intermediate Similarity NPD3267 Approved
0.7234 Intermediate Similarity NPD7435 Discontinued
0.7229 Intermediate Similarity NPD5808 Clinical (unspecified phase)
0.7222 Intermediate Similarity NPD3887 Approved
0.7222 Intermediate Similarity NPD8150 Discontinued
0.7222 Intermediate Similarity NPD6190 Approved
0.7222 Intermediate Similarity NPD2354 Approved
0.7219 Intermediate Similarity NPD4288 Approved
0.7219 Intermediate Similarity NPD2296 Approved
0.7211 Intermediate Similarity NPD7583 Approved
0.7202 Intermediate Similarity NPD6844 Discontinued
0.72 Intermediate Similarity NPD7228 Approved
0.7188 Intermediate Similarity NPD1471 Phase 3
0.7184 Intermediate Similarity NPD4575 Clinical (unspecified phase)
0.7178 Intermediate Similarity NPD5058 Phase 3
0.717 Intermediate Similarity NPD651 Clinical (unspecified phase)
0.717 Intermediate Similarity NPD5588 Approved

Structure

External Identifiers

PubChem CID   73669806
ChEMBL   CHEMBL3103544
ZINC  

Physicochemical Properties

Molecular Weight:  438.20
ALogP:  0.2208
MLogP:  3.66
XLogP:  4.029
# Rotatable Bonds:  13
Polar Surface Area:  85.22
# H-Bond Aceptor:  2
# H-Bond Donor:  2
# Rings:  4
# Heavy Atoms:  32

Download Data

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