Natural Product: NPC477706

Natural Product ID:  NPC477706
Common Name:   n.a.
IUPAC Name:  
Synonyms:  
Molecular Formula:   C30H44O5
Standard InCHIKey:  XNXCGXUXGAPGNC-UHFFFAOYSA-N
Standard InCHI:  InChI=1S/C30H44O5/c31-25(30-26(32)18-15-19-27(30)33)17-14-12-10-8-6-4-2-1-3-5-7-9-11-13-16-24-20-21-28-29(22-24)35-23-34-28/h20-22,32H,1-19,23H2
Canonical SMILES:  O=C(C1=C(O)CCCC1=O)CCCCCCCCCCCCCCCCc1ccc2c(c1)OCO2
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
NPO33674 Peperomia trineura Species Piperaceae Eukaryota aerial parts Encantado, Rio Grande do Sul, Brazil 2006-DEC PMID[24905499]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT487 Organism Cladosporium cladosporioides Cladosporium cladosporioides Activity = 5 ug 24905499
NPT488 Organism Cladosporium sphaerospermum Cladosporium sphaerospermum Activity = 5 ug 24905499

  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 NPC477706 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
0.9919 High Similarity NPC477694
0.9919 High Similarity NPC477705
0.9394 High Similarity NPC470855
0.9111 High Similarity NPC104956
0.8915 High Similarity NPC64948
0.8897 High Similarity NPC28398
0.8819 High Similarity NPC256167
0.8705 High Similarity NPC46880
0.8676 High Similarity NPC52968
0.8676 High Similarity NPC231719
0.8643 High Similarity NPC327052
0.8636 High Similarity NPC304622
0.8626 High Similarity NPC286683
0.8605 High Similarity NPC163083
0.8582 High Similarity NPC189054
0.8582 High Similarity NPC472560
0.8571 High Similarity NPC172673
0.855 High Similarity NPC127937
0.855 High Similarity NPC84076
0.855 High Similarity NPC92207
0.855 High Similarity NPC303680
0.855 High Similarity NPC90128
0.8538 High Similarity NPC273686
0.8538 High Similarity NPC312404
0.8521 High Similarity NPC476336
0.85 High Similarity NPC472564
0.8489 Intermediate Similarity NPC323601
0.8485 Intermediate Similarity NPC5018
0.8485 Intermediate Similarity NPC123722
0.8485 Intermediate Similarity NPC151167
0.8485 Intermediate Similarity NPC276466
0.8485 Intermediate Similarity NPC123228
0.8473 Intermediate Similarity NPC257589
0.8473 Intermediate Similarity NPC53305
0.8467 Intermediate Similarity NPC230968
0.8467 Intermediate Similarity NPC102260
0.8462 Intermediate Similarity NPC244876
0.8462 Intermediate Similarity NPC257976
0.8462 Intermediate Similarity NPC242372
0.8462 Intermediate Similarity NPC164778
0.8462 Intermediate Similarity NPC4181
0.845 Intermediate Similarity NPC201777
0.8444 Intermediate Similarity NPC239302
0.8425 Intermediate Similarity NPC205502
0.8409 Intermediate Similarity NPC179777
0.8392 Intermediate Similarity NPC88345
0.8385 Intermediate Similarity NPC114298
0.8382 Intermediate Similarity NPC205915
0.8382 Intermediate Similarity NPC327410
0.8372 Intermediate Similarity NPC158949
0.8369 Intermediate Similarity NPC137920
0.8369 Intermediate Similarity NPC125134
0.8369 Intermediate Similarity NPC86455
0.8359 Intermediate Similarity NPC69670
0.8359 Intermediate Similarity NPC57501
0.8357 Intermediate Similarity NPC166137
0.8357 Intermediate Similarity NPC51681
0.8357 Intermediate Similarity NPC282291
0.8345 Intermediate Similarity NPC12854
0.8333 Intermediate Similarity NPC90431
0.8333 Intermediate Similarity NPC85830
0.8321 Intermediate Similarity NPC110958
0.8321 Intermediate Similarity NPC249788
0.8321 Intermediate Similarity NPC19890
0.8321 Intermediate Similarity NPC45404
0.831 Intermediate Similarity NPC15743
0.8298 Intermediate Similarity NPC52664
0.8295 Intermediate Similarity NPC344161
0.8288 Intermediate Similarity NPC234152
0.8284 Intermediate Similarity NPC226661
0.8284 Intermediate Similarity NPC278308
0.8273 Intermediate Similarity NPC166184
0.8271 Intermediate Similarity NPC274356
0.8271 Intermediate Similarity NPC213711
0.8271 Intermediate Similarity NPC40352
0.8268 Intermediate Similarity NPC268317
0.8264 Intermediate Similarity NPC25496
0.8244 Intermediate Similarity NPC286573
0.8243 Intermediate Similarity NPC476364
0.8226 Intermediate Similarity NPC31279
0.8219 Intermediate Similarity NPC177830
0.8217 Intermediate Similarity NPC299406
0.8209 Intermediate Similarity NPC20287
0.8209 Intermediate Similarity NPC12022
0.8209 Intermediate Similarity NPC20404
0.8209 Intermediate Similarity NPC293641
0.8209 Intermediate Similarity NPC223807
0.8203 Intermediate Similarity NPC212643
0.8203 Intermediate Similarity NPC185738
0.8203 Intermediate Similarity NPC199209
0.8195 Intermediate Similarity NPC3221
0.8195 Intermediate Similarity NPC120066
0.8195 Intermediate Similarity NPC280767
0.8188 Intermediate Similarity NPC4982
0.8188 Intermediate Similarity NPC471110
0.8188 Intermediate Similarity NPC300776
0.8188 Intermediate Similarity NPC68779
0.8188 Intermediate Similarity NPC176814
0.8188 Intermediate Similarity NPC5310
0.8182 Intermediate Similarity NPC474691
0.8182 Intermediate Similarity NPC106659
0.8182 Intermediate Similarity NPC160900
0.8182 Intermediate Similarity NPC229084
0.8182 Intermediate Similarity NPC18984
0.8175 Intermediate Similarity NPC153453
0.8169 Intermediate Similarity NPC472410
0.8168 Intermediate Similarity NPC177291
0.8168 Intermediate Similarity NPC301641
0.8168 Intermediate Similarity NPC194416
0.8168 Intermediate Similarity NPC114845
0.8168 Intermediate Similarity NPC80241
0.8162 Intermediate Similarity NPC66905
0.8162 Intermediate Similarity NPC311419
0.8162 Intermediate Similarity NPC65935
0.8162 Intermediate Similarity NPC215941
0.8162 Intermediate Similarity NPC137427
0.8162 Intermediate Similarity NPC123196
0.8162 Intermediate Similarity NPC244246
0.8162 Intermediate Similarity NPC319282
0.8162 Intermediate Similarity NPC275724
0.8156 Intermediate Similarity NPC474784
0.8151 Intermediate Similarity NPC472567
0.8138 Intermediate Similarity NPC153620
0.8138 Intermediate Similarity NPC24257
0.8134 Intermediate Similarity NPC276014
0.8129 Intermediate Similarity NPC204592
0.8125 Intermediate Similarity NPC111225
0.8116 Intermediate Similarity NPC475468
0.8102 Intermediate Similarity NPC476345
0.8095 Intermediate Similarity NPC37220
0.8095 Intermediate Similarity NPC475170
0.8092 Intermediate Similarity NPC225245
0.8088 Intermediate Similarity NPC241354
0.8085 Intermediate Similarity NPC318575
0.8085 Intermediate Similarity NPC284409
0.8074 Intermediate Similarity NPC16651
0.8074 Intermediate Similarity NPC32163
0.8069 Intermediate Similarity NPC3982
0.8069 Intermediate Similarity NPC296575
0.8062 Intermediate Similarity NPC280001
0.8058 Intermediate Similarity NPC37065
0.8054 Intermediate Similarity NPC35544
0.8054 Intermediate Similarity NPC104728
0.8041 Intermediate Similarity NPC163002
0.803 Intermediate Similarity NPC193484
0.8029 Intermediate Similarity NPC63574
0.8029 Intermediate Similarity NPC280399
0.8029 Intermediate Similarity NPC134764
0.8029 Intermediate Similarity NPC233961
0.8029 Intermediate Similarity NPC339621
0.8029 Intermediate Similarity NPC275950
0.8029 Intermediate Similarity NPC184814
0.8029 Intermediate Similarity NPC171550
0.8028 Intermediate Similarity NPC322021
0.8026 Intermediate Similarity NPC68619
0.8026 Intermediate Similarity NPC472565
0.8013 Intermediate Similarity NPC261090
0.8 Intermediate Similarity NPC229787
0.8 Intermediate Similarity NPC127326
0.8 Intermediate Similarity NPC477301
0.8 Intermediate Similarity NPC474158
0.7986 Intermediate Similarity NPC470871
0.7985 Intermediate Similarity NPC60517
0.7985 Intermediate Similarity NPC146886
0.7985 Intermediate Similarity NPC20443
0.7974 Intermediate Similarity NPC239818
0.7974 Intermediate Similarity NPC218471
0.7974 Intermediate Similarity NPC476337
0.7973 Intermediate Similarity NPC229882
0.7973 Intermediate Similarity NPC158635
0.7972 Intermediate Similarity NPC162851
0.7972 Intermediate Similarity NPC218092
0.7972 Intermediate Similarity NPC246474
0.7961 Intermediate Similarity NPC474990
0.7959 Intermediate Similarity NPC116229
0.7959 Intermediate Similarity NPC304821
0.7958 Intermediate Similarity NPC178290
0.7956 Intermediate Similarity NPC476748
0.7955 Intermediate Similarity NPC109083
0.7955 Intermediate Similarity NPC269843
0.7955 Intermediate Similarity NPC224814
0.7955 Intermediate Similarity NPC189844
0.7955 Intermediate Similarity NPC60962
0.7955 Intermediate Similarity NPC14007
0.7947 Intermediate Similarity NPC476363
0.7945 Intermediate Similarity NPC224687
0.7945 Intermediate Similarity NPC30890
0.7941 Intermediate Similarity NPC281020
0.7939 Intermediate Similarity NPC474320
0.7933 Intermediate Similarity NPC308555
0.7931 Intermediate Similarity NPC469978
0.7926 Intermediate Similarity NPC173608
0.7926 Intermediate Similarity NPC17348
0.7919 Intermediate Similarity NPC32079
0.7917 Intermediate Similarity NPC210354
0.7917 Intermediate Similarity NPC176586
0.7914 Intermediate Similarity NPC104077
0.7914 Intermediate Similarity NPC50763
0.7914 Intermediate Similarity NPC106739
0.7914 Intermediate Similarity NPC147616

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC477706 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
0.8511 High Similarity NPD6143 Clinical (unspecified phase)
0.8288 Intermediate Similarity NPD7028 Phase 2
0.8203 Intermediate Similarity NPD5536 Phase 2
0.8182 Intermediate Similarity NPD4379 Clinical (unspecified phase)
0.8082 Intermediate Similarity NPD6980 Clinical (unspecified phase)
0.7939 Intermediate Similarity NPD1357 Approved
0.7761 Intermediate Similarity NPD3705 Approved
0.7752 Intermediate Similarity NPD5283 Phase 1
0.7681 Intermediate Similarity NPD9494 Approved
0.7671 Intermediate Similarity NPD4110 Phase 3
0.7671 Intermediate Similarity NPD4109 Clinical (unspecified phase)
0.7597 Intermediate Similarity NPD228 Approved
0.7582 Intermediate Similarity NPD37 Approved
0.7562 Intermediate Similarity NPD3818 Discontinued
0.75 Intermediate Similarity NPD7458 Discontinued
0.7483 Intermediate Similarity NPD6355 Discontinued
0.7481 Intermediate Similarity NPD1241 Discontinued
0.7468 Intermediate Similarity NPD7199 Phase 2
0.7445 Intermediate Similarity NPD3972 Approved
0.7436 Intermediate Similarity NPD4965 Approved
0.7436 Intermediate Similarity NPD4966 Approved
0.7436 Intermediate Similarity NPD4967 Phase 2
0.7431 Intermediate Similarity NPD2492 Phase 1
0.7407 Intermediate Similarity NPD1651 Approved
0.7375 Intermediate Similarity NPD7184 Clinical (unspecified phase)
0.7362 Intermediate Similarity NPD7074 Phase 3
0.7357 Intermediate Similarity NPD2798 Approved
0.7342 Intermediate Similarity NPD6234 Discontinued
0.7338 Intermediate Similarity NPD1283 Approved
0.7338 Intermediate Similarity NPD1876 Approved
0.7325 Intermediate Similarity NPD3882 Suspended
0.7324 Intermediate Similarity NPD7095 Approved
0.7315 Intermediate Similarity NPD8166 Discontinued
0.7301 Intermediate Similarity NPD7054 Approved
0.7299 Intermediate Similarity NPD3847 Discontinued
0.7279 Intermediate Similarity NPD2935 Discontinued
0.7273 Intermediate Similarity NPD6798 Discontinued
0.7256 Intermediate Similarity NPD7472 Approved
0.7244 Intermediate Similarity NPD1934 Approved
0.7241 Intermediate Similarity NPD1933 Approved
0.7241 Intermediate Similarity NPD447 Suspended
0.7226 Intermediate Similarity NPD4626 Approved
0.7206 Intermediate Similarity NPD1894 Discontinued
0.7203 Intermediate Similarity NPD3027 Phase 3
0.7202 Intermediate Similarity NPD8055 Clinical (unspecified phase)
0.72 Intermediate Similarity NPD4628 Phase 3
0.7197 Intermediate Similarity NPD5563 Clinical (unspecified phase)
0.7197 Intermediate Similarity NPD2801 Approved
0.7194 Intermediate Similarity NPD1608 Approved
0.7154 Intermediate Similarity NPD1358 Approved
0.7153 Intermediate Similarity NPD3268 Approved
0.7153 Intermediate Similarity NPD6859 Clinical (unspecified phase)
0.7152 Intermediate Similarity NPD3817 Phase 2
0.7143 Intermediate Similarity NPD7843 Approved
0.7143 Intermediate Similarity NPD8127 Discontinued
0.7134 Intermediate Similarity NPD7228 Approved
0.7126 Intermediate Similarity NPD7808 Phase 3
0.7122 Intermediate Similarity NPD1281 Approved
0.7114 Intermediate Similarity NPD2344 Approved
0.7114 Intermediate Similarity NPD7266 Discontinued
0.7111 Intermediate Similarity NPD7157 Approved
0.7103 Intermediate Similarity NPD6233 Phase 2
0.7103 Intermediate Similarity NPD4062 Phase 3
0.7103 Intermediate Similarity NPD8032 Phase 2
0.7099 Intermediate Similarity NPD2684 Approved
0.7095 Intermediate Similarity NPD2799 Discontinued
0.7089 Intermediate Similarity NPD2393 Clinical (unspecified phase)
0.7073 Intermediate Similarity NPD7473 Discontinued
0.707 Intermediate Similarity NPD6873 Phase 2
0.707 Intermediate Similarity NPD6386 Approved
0.707 Intermediate Similarity NPD6385 Approved
0.7066 Intermediate Similarity NPD7251 Discontinued
0.7066 Intermediate Similarity NPD7685 Pre-registration
0.7063 Intermediate Similarity NPD4381 Clinical (unspecified phase)
0.7059 Intermediate Similarity NPD1511 Approved
0.7051 Intermediate Similarity NPD3866 Clinical (unspecified phase)
0.7042 Intermediate Similarity NPD2797 Approved
0.7029 Intermediate Similarity NPD5691 Approved
0.7027 Intermediate Similarity NPD7097 Phase 1
0.7024 Intermediate Similarity NPD4338 Clinical (unspecified phase)
0.702 Intermediate Similarity NPD7421 Clinical (unspecified phase)
0.7014 Intermediate Similarity NPD2614 Approved
0.7006 Intermediate Similarity NPD6797 Phase 2
0.7 Intermediate Similarity NPD1535 Discovery
0.7 Intermediate Similarity NPD4868 Clinical (unspecified phase)
0.6994 Remote Similarity NPD6232 Discontinued
0.6987 Remote Similarity NPD1653 Approved
0.6986 Remote Similarity NPD554 Clinical (unspecified phase)
0.6982 Remote Similarity NPD7281 Phase 3
0.6982 Remote Similarity NPD7280 Phase 3
0.698 Remote Similarity NPD1510 Phase 2
0.6978 Remote Similarity NPD1778 Approved
0.6978 Remote Similarity NPD17 Approved
0.6978 Remote Similarity NPD2932 Approved
0.6977 Remote Similarity NPD8397 Clinical (unspecified phase)
0.6975 Remote Similarity NPD5494 Approved
0.6968 Remote Similarity NPD1512 Approved
0.6964 Remote Similarity NPD7240 Approved
0.6959 Remote Similarity NPD6653 Approved
0.6954 Remote Similarity NPD5958 Discontinued
0.6954 Remote Similarity NPD2424 Discontinued
0.6951 Remote Similarity NPD3926 Phase 2
0.695 Remote Similarity NPD1481 Phase 2
0.6948 Remote Similarity NPD4357 Discontinued
0.6947 Remote Similarity NPD3134 Approved
0.6939 Remote Similarity NPD3619 Clinical (unspecified phase)
0.6939 Remote Similarity NPD1240 Approved
0.6939 Remote Similarity NPD4060 Phase 1
0.6939 Remote Similarity NPD2979 Phase 3
0.6939 Remote Similarity NPD3620 Phase 2
0.6937 Remote Similarity NPD5978 Approved
0.6937 Remote Similarity NPD5977 Approved
0.6933 Remote Similarity NPD2438 Suspended
0.6929 Remote Similarity NPD3496 Discontinued
0.6928 Remote Similarity NPD2309 Approved
0.6928 Remote Similarity NPD2354 Approved
0.6928 Remote Similarity NPD5084 Clinical (unspecified phase)
0.6928 Remote Similarity NPD6190 Approved
0.6923 Remote Similarity NPD3266 Approved
0.6923 Remote Similarity NPD3267 Approved
0.6923 Remote Similarity NPD6662 Clinical (unspecified phase)
0.6918 Remote Similarity NPD3764 Approved
0.6918 Remote Similarity NPD2313 Discontinued
0.6917 Remote Similarity NPD3022 Approved
0.6917 Remote Similarity NPD3021 Approved
0.6914 Remote Similarity NPD919 Approved
0.6909 Remote Similarity NPD6166 Phase 2
0.6909 Remote Similarity NPD6167 Clinical (unspecified phase)
0.6909 Remote Similarity NPD6168 Clinical (unspecified phase)
0.6908 Remote Similarity NPD6674 Discontinued
0.6903 Remote Similarity NPD3688 Clinical (unspecified phase)
0.6903 Remote Similarity NPD3146 Approved
0.6901 Remote Similarity NPD2982 Phase 2
0.6901 Remote Similarity NPD2983 Phase 2
0.6892 Remote Similarity NPD230 Phase 1
0.6889 Remote Similarity NPD5535 Approved
0.6887 Remote Similarity NPD1375 Discontinued
0.6883 Remote Similarity NPD6783 Clinical (unspecified phase)
0.6875 Remote Similarity NPD7819 Suspended
0.6875 Remote Similarity NPD1006 Clinical (unspecified phase)
0.6875 Remote Similarity NPD8455 Phase 2
0.6875 Remote Similarity NPD5647 Approved
0.6875 Remote Similarity NPD7096 Clinical (unspecified phase)
0.6871 Remote Similarity NPD1726 Clinical (unspecified phase)
0.6864 Remote Similarity NPD6559 Discontinued
0.6863 Remote Similarity NPD6398 Clinical (unspecified phase)
0.6863 Remote Similarity NPD3750 Approved
0.6863 Remote Similarity NPD1878 Clinical (unspecified phase)
0.6861 Remote Similarity NPD6671 Approved
0.6859 Remote Similarity NPD6273 Approved
0.6857 Remote Similarity NPD3019 Approved
0.6846 Remote Similarity NPD1607 Approved
0.6842 Remote Similarity NPD7090 Clinical (unspecified phase)
0.6842 Remote Similarity NPD970 Clinical (unspecified phase)
0.6842 Remote Similarity NPD4534 Discontinued
0.6839 Remote Similarity NPD6799 Approved
0.6835 Remote Similarity NPD9545 Approved
0.6831 Remote Similarity NPD2981 Phase 2
0.6828 Remote Similarity NPD3018 Phase 2
0.6824 Remote Similarity NPD943 Approved
0.6818 Remote Similarity NPD3887 Approved
0.6803 Remote Similarity NPD5109 Approved
0.6803 Remote Similarity NPD5110 Phase 2
0.6803 Remote Similarity NPD5111 Phase 2
0.6797 Remote Similarity NPD4236 Phase 3
0.6797 Remote Similarity NPD4237 Approved
0.6795 Remote Similarity NPD4378 Clinical (unspecified phase)
0.6795 Remote Similarity NPD4739 Approved
0.6792 Remote Similarity NPD6875 Approved
0.6792 Remote Similarity NPD4380 Phase 2
0.6792 Remote Similarity NPD6876 Approved
0.6786 Remote Similarity NPD7804 Clinical (unspecified phase)
0.6786 Remote Similarity NPD5844 Phase 1
0.6786 Remote Similarity NPD5585 Approved
0.6783 Remote Similarity NPD3600 Clinical (unspecified phase)
0.6781 Remote Similarity NPD6832 Phase 2
0.6781 Remote Similarity NPD5752 Clinical (unspecified phase)
0.6781 Remote Similarity NPD1529 Clinical (unspecified phase)
0.6776 Remote Similarity NPD2343 Clinical (unspecified phase)
0.6776 Remote Similarity NPD1550 Clinical (unspecified phase)
0.6776 Remote Similarity NPD2346 Discontinued
0.6776 Remote Similarity NPD2355 Clinical (unspecified phase)
0.6776 Remote Similarity NPD2353 Approved
0.6776 Remote Similarity NPD1552 Clinical (unspecified phase)
0.677 Remote Similarity NPD2978 Approved
0.677 Remote Similarity NPD2977 Approved
0.6761 Remote Similarity NPD1091 Approved
0.6761 Remote Similarity NPD1547 Clinical (unspecified phase)
0.6757 Remote Similarity NPD2674 Phase 3
0.6755 Remote Similarity NPD3748 Approved
0.6753 Remote Similarity NPD7003 Approved
0.675 Remote Similarity NPD7110 Phase 1
0.675 Remote Similarity NPD7109 Clinical (unspecified phase)
0.6748 Remote Similarity NPD7075 Discontinued
0.6736 Remote Similarity NPD196 Phase 1
0.6736 Remote Similarity NPD3225 Approved
0.6735 Remote Similarity NPD5952 Clinical (unspecified phase)
0.6733 Remote Similarity NPD6651 Approved
0.6733 Remote Similarity NPD2653 Approved
0.6732 Remote Similarity NPD1549 Phase 2

Structure

External Identifiers

PubChem CID  
ChEMBL   CHEMBL3289511
ZINC  

Physicochemical Properties

Molecular Weight:  484.32
ALogP:  -5.0536
MLogP:  4.21
XLogP:  9.873
# Rotatable Bonds:  19
Polar Surface Area:  72.83
# H-Bond Aceptor:  3
# H-Bond Donor:  1
# Rings:  3
# Heavy Atoms:  35

Download Data

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