Natural Product: NPC472902

Natural Product ID:  NPC472902
Common Name:   3-[3,8-Dihydroxy-2-Methyl-2-(4-Methylpent-3-Enyl)-3,4-Dihydrochromen-5-Yl]-1-(2,4-Dihydroxyphenyl)Propan-1-One
IUPAC Name:   3-[3,8-dihydroxy-2-methyl-2-(4-methylpent-3-enyl)-3,4-dihydrochromen-5-yl]-1-(2,4-dihydroxyphenyl)propan-1-one
Synonyms:  
Molecular Formula:   C25H30O6
Standard InCHIKey:  LKRGIWICIRPKIL-UHFFFAOYSA-N
Standard InCHI:  InChI=1S/C25H30O6/c1-15(2)5-4-12-25(3)23(30)14-19-16(7-11-21(28)24(19)31-25)6-10-20(27)18-9-8-17(26)13-22(18)29/h5,7-9,11,13,23,26,28-30H,4,6,10,12,14H2,1-3H3
Canonical SMILES:  CC(=CCCC1(C)Oc2c(O)ccc(c2CC1O)CCC(=O)c1ccc(cc1O)O)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
NPO33150 Artocarpus communis Species Moraceae Eukaryota PMID[26178912]
NPO28799 Hyptis suaveolens Species Lamiaceae Eukaryota PMID[26178912]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT2 Others Unspecified IC50 = 50000 nM 8201311
NPT2 Others Unspecified IC50 = 40100 nM 19128055
NPT2 Others Unspecified IC50 > 75000 nM 722748

  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 NPC472902 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
0.9869 High Similarity NPC472964
0.9671 High Similarity NPC24640
0.9669 High Similarity NPC472905
0.961 High Similarity NPC36217
0.961 High Similarity NPC474960
0.9608 High Similarity NPC472963
0.9605 High Similarity NPC67396
0.9551 High Similarity NPC186686
0.9542 High Similarity NPC472907
0.9539 High Similarity NPC18727
0.949 High Similarity NPC293319
0.9487 High Similarity NPC474034
0.9487 High Similarity NPC474033
0.9487 High Similarity NPC201800
0.9484 High Similarity NPC321399
0.9484 High Similarity NPC470183
0.9481 High Similarity NPC472598
0.9481 High Similarity NPC52530
0.9481 High Similarity NPC474055
0.9481 High Similarity NPC27337
0.9481 High Similarity NPC291508
0.9481 High Similarity NPC67876
0.9481 High Similarity NPC129684
0.9481 High Similarity NPC299520
0.9474 High Similarity NPC219582
0.9474 High Similarity NPC302950
0.9474 High Similarity NPC236637
0.943 High Similarity NPC477517
0.943 High Similarity NPC43319
0.9427 High Similarity NPC124038
0.9427 High Similarity NPC475985
0.9423 High Similarity NPC472634
0.9423 High Similarity NPC474038
0.9423 High Similarity NPC472632
0.9419 High Similarity NPC210459
0.9419 High Similarity NPC476242
0.9419 High Similarity NPC329091
0.9419 High Similarity NPC55738
0.9416 High Similarity NPC326037
0.9416 High Similarity NPC195796
0.9416 High Similarity NPC320825
0.9416 High Similarity NPC13858
0.9416 High Similarity NPC291878
0.9416 High Similarity NPC35038
0.9416 High Similarity NPC278778
0.9412 High Similarity NPC469550
0.9371 High Similarity NPC474024
0.9371 High Similarity NPC477154
0.9371 High Similarity NPC117854
0.9371 High Similarity NPC6588
0.9371 High Similarity NPC218226
0.9367 High Similarity NPC475888
0.9363 High Similarity NPC211107
0.9363 High Similarity NPC472635
0.9363 High Similarity NPC476247
0.9359 High Similarity NPC472631
0.9359 High Similarity NPC475784
0.9359 High Similarity NPC119209
0.9359 High Similarity NPC287328
0.9359 High Similarity NPC472630
0.9359 High Similarity NPC118256
0.9359 High Similarity NPC174953
0.9359 High Similarity NPC192686
0.9359 High Similarity NPC282009
0.9359 High Similarity NPC472624
0.9359 High Similarity NPC299436
0.9355 High Similarity NPC475267
0.9355 High Similarity NPC471479
0.9355 High Similarity NPC136674
0.9355 High Similarity NPC48208
0.9355 High Similarity NPC471515
0.9355 High Similarity NPC474836
0.9355 High Similarity NPC99597
0.9355 High Similarity NPC210084
0.9355 High Similarity NPC241904
0.9355 High Similarity NPC162869
0.9355 High Similarity NPC156057
0.9355 High Similarity NPC300727
0.9355 High Similarity NPC474208
0.9351 High Similarity NPC31018
0.9351 High Similarity NPC477503
0.9351 High Similarity NPC255807
0.9351 High Similarity NPC45849
0.9351 High Similarity NPC470327
0.9351 High Similarity NPC200761
0.9351 High Similarity NPC321779
0.9346 High Similarity NPC260979
0.9346 High Similarity NPC257648
0.9346 High Similarity NPC477231
0.9346 High Similarity NPC472912
0.9342 High Similarity NPC338131
0.9308 High Similarity NPC170245
0.9304 High Similarity NPC472625
0.9304 High Similarity NPC7483
0.9304 High Similarity NPC474240
0.9299 High Similarity NPC26326
0.9299 High Similarity NPC471210
0.9299 High Similarity NPC173137
0.9299 High Similarity NPC158188
0.9299 High Similarity NPC61010
0.9299 High Similarity NPC471499
0.9299 High Similarity NPC308992
0.9299 High Similarity NPC472906
0.9299 High Similarity NPC134783
0.9295 High Similarity NPC85121
0.9295 High Similarity NPC473990
0.9295 High Similarity NPC22192
0.929 High Similarity NPC472626
0.929 High Similarity NPC235165
0.929 High Similarity NPC470328
0.929 High Similarity NPC474638
0.929 High Similarity NPC471500
0.929 High Similarity NPC227062
0.929 High Similarity NPC255106
0.929 High Similarity NPC274730
0.929 High Similarity NPC472916
0.929 High Similarity NPC209614
0.929 High Similarity NPC250922
0.9286 High Similarity NPC246328
0.9286 High Similarity NPC213896
0.9286 High Similarity NPC27532
0.9286 High Similarity NPC256346
0.9286 High Similarity NPC325028
0.9286 High Similarity NPC141212
0.9286 High Similarity NPC192083
0.9286 High Similarity NPC74924
0.9281 High Similarity NPC31363
0.9276 High Similarity NPC1612
0.9276 High Similarity NPC183959
0.925 High Similarity NPC150131
0.9245 High Similarity NPC62261
0.9245 High Similarity NPC239752
0.9245 High Similarity NPC234052
0.9245 High Similarity NPC472277
0.9245 High Similarity NPC326520
0.9245 High Similarity NPC300053
0.9245 High Similarity NPC108433
0.9245 High Similarity NPC275780
0.9245 High Similarity NPC472450
0.9245 High Similarity NPC303174
0.9245 High Similarity NPC224280
0.9241 High Similarity NPC474150
0.9241 High Similarity NPC474162
0.9236 High Similarity NPC328102
0.9236 High Similarity NPC200746
0.9236 High Similarity NPC56085
0.9236 High Similarity NPC471973
0.9236 High Similarity NPC139036
0.9236 High Similarity NPC470326
0.9236 High Similarity NPC14353
0.9236 High Similarity NPC228785
0.9236 High Similarity NPC263449
0.9231 High Similarity NPC222814
0.9231 High Similarity NPC223787
0.9231 High Similarity NPC472910
0.9231 High Similarity NPC471209
0.9231 High Similarity NPC111969
0.9231 High Similarity NPC245758
0.9231 High Similarity NPC470402
0.9231 High Similarity NPC469584
0.9231 High Similarity NPC181960
0.9231 High Similarity NPC473272
0.9231 High Similarity NPC52889
0.9231 High Similarity NPC472911
0.9231 High Similarity NPC96167
0.9231 High Similarity NPC284820
0.9231 High Similarity NPC472914
0.9231 High Similarity NPC472913
0.9226 High Similarity NPC117992
0.9226 High Similarity NPC226025
0.9226 High Similarity NPC152951
0.9226 High Similarity NPC37392
0.9226 High Similarity NPC57674
0.9226 High Similarity NPC2928
0.9226 High Similarity NPC230149
0.9226 High Similarity NPC168247
0.9226 High Similarity NPC256925
0.9226 High Similarity NPC234255
0.9221 High Similarity NPC9743
0.9221 High Similarity NPC106976
0.9221 High Similarity NPC260491
0.9221 High Similarity NPC36835
0.9221 High Similarity NPC61506
0.9221 High Similarity NPC60972
0.9221 High Similarity NPC246162
0.9221 High Similarity NPC237994
0.9221 High Similarity NPC240476
0.9221 High Similarity NPC39732
0.9216 High Similarity NPC151473
0.9216 High Similarity NPC85131
0.9216 High Similarity NPC29231
0.9211 High Similarity NPC188679
0.9211 High Similarity NPC294852
0.9211 High Similarity NPC321011
0.9193 High Similarity NPC288813
0.9187 High Similarity NPC119589
0.9187 High Similarity NPC235610
0.9187 High Similarity NPC272502
0.9187 High Similarity NPC471213
0.9187 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 NPC472902 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
0.9474 High Similarity NPD1934 Approved
0.9286 High Similarity NPD2393 Clinical (unspecified phase)
0.9125 High Similarity NPD6168 Clinical (unspecified phase)
0.9125 High Similarity NPD6166 Phase 2
0.9125 High Similarity NPD6167 Clinical (unspecified phase)
0.9038 High Similarity NPD2801 Approved
0.8924 High Similarity NPD3882 Suspended
0.8902 High Similarity NPD7074 Phase 3
0.8896 High Similarity NPD3818 Discontinued
0.8841 High Similarity NPD7054 Approved
0.8824 High Similarity NPD1511 Approved
0.8788 High Similarity NPD7472 Approved
0.8726 High Similarity NPD4380 Phase 2
0.871 High Similarity NPD1512 Approved
0.8688 High Similarity NPD4868 Clinical (unspecified phase)
0.8642 High Similarity NPD5494 Approved
0.8634 High Similarity NPD4381 Clinical (unspecified phase)
0.8625 High Similarity NPD3817 Phase 2
0.8623 High Similarity NPD6797 Phase 2
0.8618 High Similarity NPD1549 Phase 2
0.8614 High Similarity NPD5844 Phase 1
0.8571 High Similarity NPD7251 Discontinued
0.8562 High Similarity NPD7819 Suspended
0.8553 High Similarity NPD1552 Clinical (unspecified phase)
0.8553 High Similarity NPD1550 Clinical (unspecified phase)
0.8521 High Similarity NPD7808 Phase 3
0.8521 High Similarity NPD4338 Clinical (unspecified phase)
0.8519 High Similarity NPD7075 Discontinued
0.8447 Intermediate Similarity NPD1465 Phase 2
0.8447 Intermediate Similarity NPD7096 Clinical (unspecified phase)
0.8424 Intermediate Similarity NPD6232 Discontinued
0.8408 Intermediate Similarity NPD4378 Clinical (unspecified phase)
0.8383 Intermediate Similarity NPD7473 Discontinued
0.8366 Intermediate Similarity NPD2796 Approved
0.8364 Intermediate Similarity NPD6959 Discontinued
0.8301 Intermediate Similarity NPD1510 Phase 2
0.8294 Intermediate Similarity NPD7993 Clinical (unspecified phase)
0.8282 Intermediate Similarity NPD8443 Clinical (unspecified phase)
0.8272 Intermediate Similarity NPD6801 Discontinued
0.8228 Intermediate Similarity NPD6799 Approved
0.8176 Intermediate Similarity NPD7410 Clinical (unspecified phase)
0.8176 Intermediate Similarity NPD7804 Clinical (unspecified phase)
0.8158 Intermediate Similarity NPD1612 Clinical (unspecified phase)
0.8158 Intermediate Similarity NPD943 Approved
0.8158 Intermediate Similarity NPD1240 Approved
0.8158 Intermediate Similarity NPD1613 Approved
0.8148 Intermediate Similarity NPD6599 Discontinued
0.814 Intermediate Similarity NPD6559 Discontinued
0.8098 Intermediate Similarity NPD7411 Suspended
0.8072 Intermediate Similarity NPD3749 Approved
0.8061 Intermediate Similarity NPD5402 Approved
0.8052 Intermediate Similarity NPD1607 Approved
0.8038 Intermediate Similarity NPD3750 Approved
0.8025 Intermediate Similarity NPD970 Clinical (unspecified phase)
0.8012 Intermediate Similarity NPD3751 Discontinued
0.7963 Intermediate Similarity NPD5403 Approved
0.7961 Intermediate Similarity NPD3027 Phase 3
0.7949 Intermediate Similarity NPD651 Clinical (unspecified phase)
0.7941 Intermediate Similarity NPD3926 Phase 2
0.7929 Intermediate Similarity NPD7199 Phase 2
0.7925 Intermediate Similarity NPD4628 Phase 3
0.7923 Intermediate Similarity NPD7501 Clinical (unspecified phase)
0.7895 Intermediate Similarity NPD7852 Clinical (unspecified phase)
0.7895 Intermediate Similarity NPD1529 Clinical (unspecified phase)
0.7882 Intermediate Similarity NPD3787 Discontinued
0.784 Intermediate Similarity NPD5401 Approved
0.784 Intermediate Similarity NPD2533 Approved
0.784 Intermediate Similarity NPD2532 Approved
0.784 Intermediate Similarity NPD2534 Approved
0.7833 Intermediate Similarity NPD7879 Clinical (unspecified phase)
0.7829 Intermediate Similarity NPD1530 Clinical (unspecified phase)
0.7824 Intermediate Similarity NPD1247 Approved
0.7821 Intermediate Similarity NPD8397 Clinical (unspecified phase)
0.7811 Intermediate Similarity NPD919 Approved
0.7811 Intermediate Similarity NPD6234 Discontinued
0.7798 Intermediate Similarity NPD7768 Phase 2
0.7785 Intermediate Similarity NPD2935 Discontinued
0.7785 Intermediate Similarity NPD6099 Approved
0.7785 Intermediate Similarity NPD6100 Approved
0.7756 Intermediate Similarity NPD230 Phase 1
0.7756 Intermediate Similarity NPD447 Suspended
0.7753 Intermediate Similarity NPD8055 Clinical (unspecified phase)
0.7744 Intermediate Similarity NPD6980 Clinical (unspecified phase)
0.7736 Intermediate Similarity NPD2346 Discontinued
0.7733 Intermediate Similarity NPD7184 Clinical (unspecified phase)
0.7725 Intermediate Similarity NPD37 Approved
0.7722 Intermediate Similarity NPD3748 Approved
0.7722 Intermediate Similarity NPD1509 Clinical (unspecified phase)
0.7701 Intermediate Similarity NPD7228 Approved
0.7697 Intermediate Similarity NPD1653 Approved
0.7692 Intermediate Similarity NPD4966 Approved
0.7692 Intermediate Similarity NPD4965 Approved
0.7692 Intermediate Similarity NPD4967 Phase 2
0.7673 Intermediate Similarity NPD1551 Phase 2
0.7654 Intermediate Similarity NPD6190 Approved
0.7651 Intermediate Similarity NPD3226 Approved
0.7643 Intermediate Similarity NPD1933 Approved
0.764 Intermediate Similarity NPD7421 Clinical (unspecified phase)
0.764 Intermediate Similarity NPD2800 Approved
0.764 Intermediate Similarity NPD8313 Approved
0.764 Intermediate Similarity NPD8312 Approved
0.7627 Intermediate Similarity NPD7685 Pre-registration
0.7625 Intermediate Similarity NPD2344 Approved
0.7597 Intermediate Similarity NPD9494 Approved
0.7566 Intermediate Similarity NPD4379 Clinical (unspecified phase)
0.7564 Intermediate Similarity NPD6859 Clinical (unspecified phase)
0.7561 Intermediate Similarity NPD7390 Discontinued
0.755 Intermediate Similarity NPD1547 Clinical (unspecified phase)
0.7545 Intermediate Similarity NPD5808 Clinical (unspecified phase)
0.754 Intermediate Similarity NPD6781 Approved
0.754 Intermediate Similarity NPD6782 Approved
0.754 Intermediate Similarity NPD6777 Approved
0.754 Intermediate Similarity NPD6780 Approved
0.754 Intermediate Similarity NPD6776 Approved
0.754 Intermediate Similarity NPD6779 Approved
0.754 Intermediate Similarity NPD6778 Approved
0.7514 Intermediate Similarity NPD8150 Discontinued
0.7514 Intermediate Similarity NPD8434 Phase 2
0.75 Intermediate Similarity NPD2799 Discontinued
0.7486 Intermediate Similarity NPD4419 Clinical (unspecified phase)
0.7485 Intermediate Similarity NPD1878 Clinical (unspecified phase)
0.7485 Intermediate Similarity NPD6398 Clinical (unspecified phase)
0.7455 Intermediate Similarity NPD6143 Clinical (unspecified phase)
0.7439 Intermediate Similarity NPD2309 Approved
0.7436 Intermediate Similarity NPD4908 Phase 1
0.7425 Intermediate Similarity NPD920 Approved
0.7421 Intermediate Similarity NPD7435 Discontinued
0.741 Intermediate Similarity NPD7004 Clinical (unspecified phase)
0.741 Intermediate Similarity NPD7422 Clinical (unspecified phase)
0.7409 Intermediate Similarity NPD8151 Discontinued
0.7391 Intermediate Similarity NPD7033 Discontinued
0.7389 Intermediate Similarity NPD4625 Phase 3
0.7374 Intermediate Similarity NPD5953 Discontinued
0.7371 Intermediate Similarity NPD5711 Approved
0.7371 Intermediate Similarity NPD5710 Approved
0.7366 Intermediate Similarity NPD4363 Phase 3
0.7366 Intermediate Similarity NPD4360 Phase 2
0.736 Intermediate Similarity NPD7286 Phase 2
0.7355 Intermediate Similarity NPD1203 Approved
0.7342 Intermediate Similarity NPD2313 Discontinued
0.7342 Intermediate Similarity NPD4907 Clinical (unspecified phase)
0.733 Intermediate Similarity NPD5242 Approved
0.733 Intermediate Similarity NPD7697 Approved
0.733 Intermediate Similarity NPD7696 Phase 3
0.733 Intermediate Similarity NPD7698 Approved
0.7325 Intermediate Similarity NPD6832 Phase 2
0.732 Intermediate Similarity NPD1610 Phase 2
0.7317 Intermediate Similarity NPD1243 Approved
0.7314 Intermediate Similarity NPD8127 Discontinued
0.7312 Intermediate Similarity NPD1899 Clinical (unspecified phase)
0.731 Intermediate Similarity NPD6844 Discontinued
0.7308 Intermediate Similarity NPD2798 Approved
0.7306 Intermediate Similarity NPD7584 Approved
0.7305 Intermediate Similarity NPD642 Clinical (unspecified phase)
0.7292 Intermediate Similarity NPD7871 Phase 2
0.7292 Intermediate Similarity NPD7870 Phase 2
0.7289 Intermediate Similarity NPD643 Clinical (unspecified phase)
0.7287 Intermediate Similarity NPD8090 Clinical (unspecified phase)
0.7277 Intermediate Similarity NPD6823 Phase 2
0.7273 Intermediate Similarity NPD6535 Approved
0.7273 Intermediate Similarity NPD6534 Approved
0.7268 Intermediate Similarity NPD7701 Phase 2
0.7267 Intermediate Similarity NPD6651 Approved
0.7262 Intermediate Similarity NPD6273 Approved
0.7256 Intermediate Similarity NPD2424 Discontinued
0.725 Intermediate Similarity NPD4060 Phase 1
0.7245 Intermediate Similarity NPD7782 Clinical (unspecified phase)
0.7245 Intermediate Similarity NPD7783 Phase 2
0.7244 Intermediate Similarity NPD1470 Approved
0.7238 Intermediate Similarity NPD7240 Approved
0.7233 Intermediate Similarity NPD3268 Approved
0.7233 Intermediate Similarity NPD6798 Discontinued
0.7225 Intermediate Similarity NPD5353 Approved
0.7212 Intermediate Similarity NPD5698 Clinical (unspecified phase)
0.7208 Intermediate Similarity NPD1201 Approved
0.7205 Intermediate Similarity NPD6355 Discontinued
0.7202 Intermediate Similarity NPD4662 Approved
0.7202 Intermediate Similarity NPD4661 Approved
0.7195 Intermediate Similarity NPD7266 Discontinued
0.7194 Intermediate Similarity NPD7874 Approved
0.7194 Intermediate Similarity NPD7875 Clinical (unspecified phase)
0.7182 Intermediate Similarity NPD3823 Discontinued
0.7178 Intermediate Similarity NPD4308 Phase 3
0.7175 Intermediate Similarity NPD7229 Phase 3
0.7168 Intermediate Similarity NPD5761 Phase 2
0.7168 Intermediate Similarity NPD5760 Phase 2
0.7164 Intermediate Similarity NPD4665 Approved
0.7164 Intermediate Similarity NPD4111 Phase 1
0.7161 Intermediate Similarity NPD9269 Phase 2
0.7161 Intermediate Similarity NPD9717 Approved
0.7158 Intermediate Similarity NPD7699 Phase 2
0.7158 Intermediate Similarity NPD7700 Phase 2
0.7157 Intermediate Similarity NPD7801 Approved
0.7152 Intermediate Similarity NPD2861 Phase 2
0.7151 Intermediate Similarity NPD4287 Approved
0.7135 Intermediate Similarity NPD7458 Discontinued
0.7135 Intermediate Similarity NPD2493 Approved
0.7135 Intermediate Similarity NPD2649 Approved
0.7135 Intermediate Similarity NPD2494 Approved
0.7135 Intermediate Similarity NPD2651 Approved

Structure

External Identifiers

PubChem CID   16681149
ChEMBL   CHEMBL3593935
ZINC  

Physicochemical Properties

Molecular Weight:  426.20
ALogP:  0.0721
MLogP:  3.55
XLogP:  3.615
# Rotatable Bonds:  14
Polar Surface Area:  107.22
# H-Bond Aceptor:  2
# H-Bond Donor:  4
# Rings:  3
# Heavy Atoms:  31

Download Data

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