Natural Product: NPC474616

Natural Product ID:  NPC474616
Common Name:   2-Methyl-2-(4,8,12-Trimethyltrideca-3,7,11-Trienyl)-2H-Chromene-5,6-Diyl Diacetate
IUPAC Name:   [5-acetyloxy-2-methyl-2-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]chromen-6-yl] acetate
Synonyms:  
Molecular Formula:   C30H40O5
Standard InCHIKey:  RAYIDJIDGBPJDH-JWIKZEKMSA-N
Standard InCHI:  InChI=1S/C30H40O5/c1-21(2)11-8-12-22(3)13-9-14-23(4)15-10-19-30(7)20-18-26-27(35-30)16-17-28(33-24(5)31)29(26)34-25(6)32/h11,13,15-18,20H,8-10,12,14,19H2,1-7H3/b22-13+,23-15+
Canonical SMILES:  C/C(=CCCC1(C)C=Cc2c(O1)ccc(c2OC(=O)C)OC(=O)C)/CC/C=C(/CCC=C(C)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
NPO27847 Suillus granulatus Species Suillaceae Eukaryota PMID[1294697]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT91 Cell Line KB Homo sapiens IC50 = 1 ug/ml 15043446
NPT2 Others Unspecified IC50 = 0.7 ug/ml 16562837
NPT168 Cell Line P388 Mus musculus IC50 = 0.3 ug/ml 20185316

  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 NPC474616 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
0.9593 High Similarity NPC474821
0.9593 High Similarity NPC474670
0.952 High Similarity NPC474617
0.9512 High Similarity NPC474632
0.936 High Similarity NPC474636
0.9308 High Similarity NPC474540
0.9308 High Similarity NPC474530
0.9308 High Similarity NPC474521
0.9308 High Similarity NPC476171
0.9297 High Similarity NPC36437
0.9297 High Similarity NPC241341
0.9297 High Similarity NPC233018
0.9225 High Similarity NPC474600
0.9219 High Similarity NPC137669
0.9219 High Similarity NPC319969
0.9213 High Similarity NPC244799
0.9213 High Similarity NPC240722
0.9147 High Similarity NPC474810
0.9134 High Similarity NPC123127
0.9134 High Similarity NPC27239
0.9084 High Similarity NPC286843
0.9062 High Similarity NPC19242
0.9055 High Similarity NPC474623
0.9055 High Similarity NPC474651
0.9032 High Similarity NPC194626
0.9008 High Similarity NPC234865
0.8992 High Similarity NPC147317
0.8992 High Similarity NPC142530
0.8955 High Similarity NPC300611
0.8947 High Similarity NPC43500
0.8947 High Similarity NPC270256
0.8947 High Similarity NPC164148
0.8939 High Similarity NPC167517
0.8931 High Similarity NPC309953
0.8915 High Similarity NPC476399
0.8864 High Similarity NPC252095
0.8855 High Similarity NPC472522
0.8788 High Similarity NPC147030
0.878 High Similarity NPC474612
0.8779 High Similarity NPC474635
0.8769 High Similarity NPC307042
0.8769 High Similarity NPC79184
0.876 High Similarity NPC210674
0.875 High Similarity NPC476006
0.8731 High Similarity NPC52086
0.8731 High Similarity NPC20511
0.8731 High Similarity NPC148835
0.8731 High Similarity NPC95162
0.8731 High Similarity NPC76336
0.8731 High Similarity NPC20796
0.8731 High Similarity NPC139548
0.8722 High Similarity NPC472521
0.8722 High Similarity NPC311430
0.8722 High Similarity NPC73071
0.8722 High Similarity NPC240915
0.8722 High Similarity NPC224941
0.8702 High Similarity NPC82503
0.8699 High Similarity NPC471498
0.8699 High Similarity NPC471503
0.8686 High Similarity NPC138212
0.8682 High Similarity NPC194841
0.8667 High Similarity NPC13067
0.8657 High Similarity NPC126682
0.8657 High Similarity NPC82271
0.8647 High Similarity NPC7163
0.8636 High Similarity NPC123954
0.8633 High Similarity NPC205361
0.8605 High Similarity NPC127604
0.8605 High Similarity NPC244364
0.8593 High Similarity NPC105493
0.8571 High Similarity NPC277021
0.856 High Similarity NPC308217
0.8551 High Similarity NPC7439
0.8551 High Similarity NPC236419
0.8551 High Similarity NPC110067
0.8551 High Similarity NPC34245
0.8551 High Similarity NPC256555
0.8551 High Similarity NPC91492
0.8548 High Similarity NPC304208
0.8548 High Similarity NPC52464
0.8507 High Similarity NPC309744
0.8507 High Similarity NPC92830
0.85 High Similarity NPC475896
0.85 High Similarity NPC475872
0.8496 Intermediate Similarity NPC137949
0.8492 Intermediate Similarity NPC473290
0.8492 Intermediate Similarity NPC471504
0.8485 Intermediate Similarity NPC220935
0.844 Intermediate Similarity NPC15577
0.8438 Intermediate Similarity NPC288238
0.8433 Intermediate Similarity NPC26673
0.8429 Intermediate Similarity NPC292256
0.8429 Intermediate Similarity NPC125617
0.8429 Intermediate Similarity NPC476450
0.8425 Intermediate Similarity NPC472596
0.8425 Intermediate Similarity NPC267064
0.8421 Intermediate Similarity NPC73738
0.8417 Intermediate Similarity NPC230157
0.8409 Intermediate Similarity NPC153547
0.8406 Intermediate Similarity NPC472520
0.8406 Intermediate Similarity NPC279851
0.8397 Intermediate Similarity NPC216836
0.8394 Intermediate Similarity NPC19869
0.8382 Intermediate Similarity NPC471719
0.838 Intermediate Similarity NPC96294
0.8372 Intermediate Similarity NPC279379
0.8358 Intermediate Similarity NPC5423
0.8358 Intermediate Similarity NPC245120
0.8346 Intermediate Similarity NPC229231
0.8346 Intermediate Similarity NPC222175
0.8346 Intermediate Similarity NPC214860
0.8345 Intermediate Similarity NPC469564
0.8333 Intermediate Similarity NPC31707
0.8333 Intermediate Similarity NPC152306
0.8322 Intermediate Similarity NPC30688
0.8322 Intermediate Similarity NPC176903
0.8321 Intermediate Similarity NPC38874
0.8321 Intermediate Similarity NPC112596
0.8321 Intermediate Similarity NPC101894
0.832 Intermediate Similarity NPC128633
0.831 Intermediate Similarity NPC170239
0.831 Intermediate Similarity NPC231149
0.831 Intermediate Similarity NPC275125
0.831 Intermediate Similarity NPC97937
0.8309 Intermediate Similarity NPC327382
0.8308 Intermediate Similarity NPC140521
0.8296 Intermediate Similarity NPC296624
0.8296 Intermediate Similarity NPC318400
0.8296 Intermediate Similarity NPC167111
0.8296 Intermediate Similarity NPC207002
0.8296 Intermediate Similarity NPC37196
0.8296 Intermediate Similarity NPC94236
0.8296 Intermediate Similarity NPC133956
0.8296 Intermediate Similarity NPC471910
0.8296 Intermediate Similarity NPC269528
0.8295 Intermediate Similarity NPC270326
0.8295 Intermediate Similarity NPC261661
0.8281 Intermediate Similarity NPC180006
0.8281 Intermediate Similarity NPC235190
0.8281 Intermediate Similarity NPC163200
0.8271 Intermediate Similarity NPC45824
0.8268 Intermediate Similarity NPC298796
0.8264 Intermediate Similarity NPC205727
0.8264 Intermediate Similarity NPC294522
0.8264 Intermediate Similarity NPC120426
0.8264 Intermediate Similarity NPC114740
0.8264 Intermediate Similarity NPC21184
0.8258 Intermediate Similarity NPC189248
0.8258 Intermediate Similarity NPC202904
0.8252 Intermediate Similarity NPC139839
0.8248 Intermediate Similarity NPC104167
0.8244 Intermediate Similarity NPC249836
0.8235 Intermediate Similarity NPC47163
0.8235 Intermediate Similarity NPC267412
0.8235 Intermediate Similarity NPC287182
0.8235 Intermediate Similarity NPC100986
0.8235 Intermediate Similarity NPC55149
0.8235 Intermediate Similarity NPC198381
0.8235 Intermediate Similarity NPC195343
0.8235 Intermediate Similarity NPC111635
0.8235 Intermediate Similarity NPC319859
0.8235 Intermediate Similarity NPC84894
0.8235 Intermediate Similarity NPC474478
0.8235 Intermediate Similarity NPC127888
0.8235 Intermediate Similarity NPC74655
0.8235 Intermediate Similarity NPC164269
0.8235 Intermediate Similarity NPC18804
0.8235 Intermediate Similarity NPC307412
0.8235 Intermediate Similarity NPC166672
0.8235 Intermediate Similarity NPC260265
0.8231 Intermediate Similarity NPC273772
0.8231 Intermediate Similarity NPC108545
0.8231 Intermediate Similarity NPC109675
0.8227 Intermediate Similarity NPC471763
0.8227 Intermediate Similarity NPC185127
0.8222 Intermediate Similarity NPC161203
0.8222 Intermediate Similarity NPC14248
0.8217 Intermediate Similarity NPC75713
0.8209 Intermediate Similarity NPC470624
0.8209 Intermediate Similarity NPC237169
0.8207 Intermediate Similarity NPC213197
0.8195 Intermediate Similarity NPC63179
0.8195 Intermediate Similarity NPC266691
0.8194 Intermediate Similarity NPC113790
0.8189 Intermediate Similarity NPC265547
0.8189 Intermediate Similarity NPC96705
0.8188 Intermediate Similarity NPC474886
0.8188 Intermediate Similarity NPC865
0.8182 Intermediate Similarity NPC137352
0.8182 Intermediate Similarity NPC183083
0.8182 Intermediate Similarity NPC178129
0.8182 Intermediate Similarity NPC476347
0.8175 Intermediate Similarity NPC195022
0.8175 Intermediate Similarity NPC134968
0.8175 Intermediate Similarity NPC469675
0.8175 Intermediate Similarity NPC123948
0.8175 Intermediate Similarity NPC472337
0.8175 Intermediate Similarity NPC471909
0.8175 Intermediate Similarity NPC281521
0.8175 Intermediate Similarity NPC201357

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC474616 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
0.8069 Intermediate Similarity NPD1653 Approved
0.8056 Intermediate Similarity NPD1940 Clinical (unspecified phase)
0.7939 Intermediate Similarity NPD422 Phase 1
0.7852 Intermediate Similarity NPD3018 Phase 2
0.7794 Intermediate Similarity NPD1529 Clinical (unspecified phase)
0.7744 Intermediate Similarity NPD2981 Phase 2
0.7727 Intermediate Similarity NPD3496 Discontinued
0.7721 Intermediate Similarity NPD1530 Clinical (unspecified phase)
0.7687 Intermediate Similarity NPD2982 Phase 2
0.7687 Intermediate Similarity NPD2983 Phase 2
0.7681 Intermediate Similarity NPD6859 Clinical (unspecified phase)
0.7674 Intermediate Similarity NPD6671 Approved
0.7669 Intermediate Similarity NPD1611 Approved
0.7664 Intermediate Similarity NPD1008 Clinical (unspecified phase)
0.7643 Intermediate Similarity NPD447 Suspended
0.7632 Intermediate Similarity NPD3817 Phase 2
0.7609 Intermediate Similarity NPD3027 Phase 3
0.7581 Intermediate Similarity NPD9697 Approved
0.7571 Intermediate Similarity NPD1612 Clinical (unspecified phase)
0.7571 Intermediate Similarity NPD1613 Approved
0.7566 Intermediate Similarity NPD2801 Approved
0.7556 Intermediate Similarity NPD4749 Approved
0.7517 Intermediate Similarity NPD1652 Phase 2
0.7466 Intermediate Similarity NPD6398 Clinical (unspecified phase)
0.7442 Intermediate Similarity NPD5535 Approved
0.7432 Intermediate Similarity NPD7837 Clinical (unspecified phase)
0.7429 Intermediate Similarity NPD1296 Phase 2
0.7424 Intermediate Similarity NPD7644 Approved
0.7407 Intermediate Similarity NPD3705 Approved
0.7394 Intermediate Similarity NPD5124 Phase 1
0.7394 Intermediate Similarity NPD5123 Clinical (unspecified phase)
0.7388 Intermediate Similarity NPD1778 Approved
0.7385 Intermediate Similarity NPD5283 Phase 1
0.7372 Intermediate Similarity NPD3225 Approved
0.7362 Intermediate Similarity NPD7549 Discontinued
0.7357 Intermediate Similarity NPD4625 Phase 3
0.7333 Intermediate Similarity NPD7314 Clinical (unspecified phase)
0.7329 Intermediate Similarity NPD5844 Phase 1
0.7325 Intermediate Similarity NPD5677 Discontinued
0.7313 Intermediate Similarity NPD5585 Approved
0.731 Intermediate Similarity NPD3539 Phase 1
0.7305 Intermediate Similarity NPD6410 Clinical (unspecified phase)
0.7293 Intermediate Similarity NPD5536 Phase 2
0.729 Intermediate Similarity NPD5402 Approved
0.7279 Intermediate Similarity NPD1091 Approved
0.7273 Intermediate Similarity NPD1933 Approved
0.7261 Intermediate Similarity NPD919 Approved
0.726 Intermediate Similarity NPD3540 Phase 1
0.7259 Intermediate Similarity NPD17 Approved
0.7241 Intermediate Similarity NPD3748 Approved
0.7239 Intermediate Similarity NPD1548 Phase 1
0.7234 Intermediate Similarity NPD7095 Approved
0.7222 Intermediate Similarity NPD2653 Approved
0.7215 Intermediate Similarity NPD5494 Approved
0.7214 Intermediate Similarity NPD2237 Approved
0.72 Intermediate Similarity NPD1511 Approved
0.7194 Intermediate Similarity NPD2797 Approved
0.7194 Intermediate Similarity NPD3267 Approved
0.7194 Intermediate Similarity NPD3266 Approved
0.7192 Intermediate Similarity NPD6099 Approved
0.7192 Intermediate Similarity NPD6100 Approved
0.7188 Intermediate Similarity NPD1358 Approved
0.7171 Intermediate Similarity NPD6980 Clinical (unspecified phase)
0.717 Intermediate Similarity NPD7199 Phase 2
0.7163 Intermediate Similarity NPD6832 Phase 2
0.7163 Intermediate Similarity NPD4908 Phase 1
0.7161 Intermediate Similarity NPD1934 Approved
0.7153 Intermediate Similarity NPD1899 Clinical (unspecified phase)
0.7143 Intermediate Similarity NPD5762 Approved
0.7143 Intermediate Similarity NPD5763 Approved
0.7134 Intermediate Similarity NPD4868 Clinical (unspecified phase)
0.7122 Intermediate Similarity NPD6696 Suspended
0.7105 Intermediate Similarity NPD1512 Approved
0.7101 Intermediate Similarity NPD1608 Approved
0.7086 Intermediate Similarity NPD6799 Approved
0.7083 Intermediate Similarity NPD4307 Phase 2
0.7083 Intermediate Similarity NPD4060 Phase 1
0.7081 Intermediate Similarity NPD7184 Clinical (unspecified phase)
0.707 Intermediate Similarity NPD5353 Approved
0.7067 Intermediate Similarity NPD5307 Clinical (unspecified phase)
0.7063 Intermediate Similarity NPD4907 Clinical (unspecified phase)
0.7063 Intermediate Similarity NPD3268 Approved
0.7063 Intermediate Similarity NPD7985 Registered
0.7063 Intermediate Similarity NPD1247 Approved
0.7059 Intermediate Similarity NPD5691 Approved
0.7054 Intermediate Similarity NPD290 Approved
0.7051 Intermediate Similarity NPD37 Approved
0.705 Intermediate Similarity NPD4359 Approved
0.7048 Intermediate Similarity NPD4338 Clinical (unspecified phase)
0.7029 Intermediate Similarity NPD1610 Phase 2
0.7025 Intermediate Similarity NPD4967 Phase 2
0.7025 Intermediate Similarity NPD3882 Suspended
0.7025 Intermediate Similarity NPD4966 Approved
0.7025 Intermediate Similarity NPD4965 Approved
0.7021 Intermediate Similarity NPD6917 Clinical (unspecified phase)
0.7014 Intermediate Similarity NPD6233 Phase 2
0.7013 Intermediate Similarity NPD3687 Approved
0.7013 Intermediate Similarity NPD3686 Approved
0.7012 Intermediate Similarity NPD7054 Approved
0.7007 Intermediate Similarity NPD7033 Discontinued
0.7006 Intermediate Similarity NPD2393 Clinical (unspecified phase)
0.7006 Intermediate Similarity NPD1465 Phase 2
0.7 Intermediate Similarity NPD2922 Phase 1
0.7 Intermediate Similarity NPD3750 Approved
0.6993 Remote Similarity NPD3647 Clinical (unspecified phase)
0.6986 Remote Similarity NPD6653 Approved
0.6985 Remote Similarity NPD7533 Approved
0.6985 Remote Similarity NPD7534 Approved
0.698 Remote Similarity NPD970 Clinical (unspecified phase)
0.6978 Remote Similarity NPD9717 Approved
0.6977 Remote Similarity NPD3134 Approved
0.6972 Remote Similarity NPD2861 Phase 2
0.697 Remote Similarity NPD7472 Approved
0.697 Remote Similarity NPD228 Approved
0.6968 Remote Similarity NPD8158 Clinical (unspecified phase)
0.6968 Remote Similarity NPD6055 Clinical (unspecified phase)
0.6959 Remote Similarity NPD6032 Approved
0.6959 Remote Similarity NPD2796 Approved
0.6959 Remote Similarity NPD1551 Phase 2
0.6954 Remote Similarity NPD2219 Phase 1
0.6948 Remote Similarity NPD5403 Approved
0.6939 Remote Similarity NPD6111 Discontinued
0.6937 Remote Similarity NPD6234 Discontinued
0.6933 Remote Similarity NPD1243 Approved
0.6929 Remote Similarity NPD4379 Clinical (unspecified phase)
0.6928 Remote Similarity NPD3688 Clinical (unspecified phase)
0.6928 Remote Similarity NPD5401 Approved
0.6928 Remote Similarity NPD3146 Approved
0.6923 Remote Similarity NPD5752 Clinical (unspecified phase)
0.6923 Remote Similarity NPD4678 Approved
0.6923 Remote Similarity NPD4675 Approved
0.6918 Remote Similarity NPD6355 Discontinued
0.6918 Remote Similarity NPD230 Phase 1
0.6917 Remote Similarity NPD7843 Approved
0.6914 Remote Similarity NPD6232 Discontinued
0.6913 Remote Similarity NPD1375 Discontinued
0.6912 Remote Similarity NPD1408 Clinical (unspecified phase)
0.6908 Remote Similarity NPD7124 Phase 2
0.6901 Remote Similarity NPD1019 Discontinued
0.6899 Remote Similarity NPD7819 Suspended
0.6899 Remote Similarity NPD7096 Clinical (unspecified phase)
0.6892 Remote Similarity NPD4308 Phase 3
0.689 Remote Similarity NPD7473 Discontinued
0.6889 Remote Similarity NPD7157 Approved
0.6887 Remote Similarity NPD4110 Phase 3
0.6887 Remote Similarity NPD4109 Clinical (unspecified phase)
0.6884 Remote Similarity NPD4626 Approved
0.6879 Remote Similarity NPD8651 Approved
0.6875 Remote Similarity NPD7975 Clinical (unspecified phase)
0.687 Remote Similarity NPD2684 Approved
0.6867 Remote Similarity NPD7074 Phase 3
0.6863 Remote Similarity NPD5297 Approved
0.6863 Remote Similarity NPD4357 Discontinued
0.6863 Remote Similarity NPD6143 Clinical (unspecified phase)
0.6857 Remote Similarity NPD6621 Clinical (unspecified phase)
0.6848 Remote Similarity NPD3818 Discontinued
0.6846 Remote Similarity NPD2935 Discontinued
0.6846 Remote Similarity NPD968 Approved
0.6845 Remote Similarity NPD7808 Phase 3
0.6839 Remote Similarity NPD920 Approved
0.6831 Remote Similarity NPD1203 Approved
0.6829 Remote Similarity NPD6168 Clinical (unspecified phase)
0.6829 Remote Similarity NPD6167 Clinical (unspecified phase)
0.6829 Remote Similarity NPD6166 Phase 2
0.6828 Remote Similarity NPD411 Approved
0.6828 Remote Similarity NPD1699 Clinical (unspecified phase)
0.6828 Remote Similarity NPD6798 Discontinued
0.6828 Remote Similarity NPD1048 Approved
0.6824 Remote Similarity NPD7097 Phase 1
0.6821 Remote Similarity NPD6674 Discontinued
0.6818 Remote Similarity NPD4378 Clinical (unspecified phase)
0.6815 Remote Similarity NPD6599 Discontinued
0.6803 Remote Similarity NPD4340 Discontinued
0.68 Remote Similarity NPD7266 Discontinued
0.6786 Remote Similarity NPD7251 Discontinued
0.6786 Remote Similarity NPD1535 Discovery
0.6781 Remote Similarity NPD8032 Phase 2
0.6776 Remote Similarity NPD1878 Clinical (unspecified phase)
0.6772 Remote Similarity NPD6386 Approved
0.6772 Remote Similarity NPD6385 Approved
0.6772 Remote Similarity NPD7615 Clinical (unspecified phase)
0.677 Remote Similarity NPD7075 Discontinued
0.6768 Remote Similarity NPD3926 Phase 2
0.6768 Remote Similarity NPD5242 Approved
0.6753 Remote Similarity NPD1774 Approved
0.675 Remote Similarity NPD6374 Clinical (unspecified phase)
0.6748 Remote Similarity NPD8127 Discontinued
0.6747 Remote Similarity NPD7228 Approved
0.6738 Remote Similarity NPD1481 Phase 2
0.6735 Remote Similarity NPD1558 Phase 1
0.6732 Remote Similarity NPD6190 Approved
0.673 Remote Similarity NPD6801 Discontinued
0.6726 Remote Similarity NPD6797 Phase 2
0.6715 Remote Similarity NPD7340 Approved
0.671 Remote Similarity NPD1424 Approved
0.671 Remote Similarity NPD7004 Clinical (unspecified phase)
0.671 Remote Similarity NPD642 Clinical (unspecified phase)
0.6709 Remote Similarity NPD4972 Discontinued
0.6707 Remote Similarity NPD3787 Discontinued
0.6707 Remote Similarity NPD7229 Phase 3

Structure

External Identifiers

PubChem CID   14487960
ChEMBL   CHEMBL476892
ZINC  

Physicochemical Properties

Molecular Weight:  480.29
ALogP:  4.8377
MLogP:  4.21
XLogP:  8.147
# Rotatable Bonds:  20
Polar Surface Area:  61.83
# H-Bond Aceptor:  2
# H-Bond Donor:  0
# Rings:  2
# Heavy Atoms:  35

Download Data

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General Info & Identifiers & Properties  
Structure MOL file  
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Biological Activities  
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