Natural Product: NPC477857

Natural Product ID:  NPC477857
Common Name:   n.a.
IUPAC Name:  
Synonyms:  
Molecular Formula:   C30H46O2
Standard InCHIKey:  DJEHHOPRZXJCAP-JCWSCRSNSA-N
Standard InCHI:  InChI=1S/C30H46O2/c1-19(2)22(31)9-8-20(3)21-12-14-28(7)24-11-10-23-26(4,5)25(32)13-15-29(23)18-30(24,29)17-16-27(21,28)6/h20-21,23-24H,1,8-18H2,2-7H3/t20-,21-,23+,24-,27-,28+,29-,30+/m1/s1
Canonical SMILES:  CC(=C)C(=O)CC[C@H]([C@H]1CC[C@@]2([C@]1(C)CC[C@@]13[C@@H]2CC[C@@H]2[C@]3(C1)CCC(=O)C2(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
NPO31363 Rhus sylvestris Species Anacardiaceae Eukaryota stems and leaves PMID[19447618]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT113 Cell Line RAW264.7 Mus musculus Inhibition = 20.9 % 19447618
NPT926 Cell Line SK-MEL-1 Homo sapiens IC50 = 15860 nM 19447618
NPT83 Cell Line MCF7 Homo sapiens IC50 = 30910 nM 19447618
NPT165 Cell Line HeLa Homo sapiens IC50 = 24840 nM 19447618

  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 NPC477857 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
0.9531 High Similarity NPC39462
0.9531 High Similarity NPC168824
0.9531 High Similarity NPC96812
0.9531 High Similarity NPC189917
0.9531 High Similarity NPC107704
0.9 High Similarity NPC255650
0.8971 High Similarity NPC214770
0.8971 High Similarity NPC477856
0.8939 High Similarity NPC43300
0.8873 High Similarity NPC69408
0.8857 High Similarity NPC159497
0.8857 High Similarity NPC255021
0.8714 High Similarity NPC474228
0.8714 High Similarity NPC303613
0.8472 Intermediate Similarity NPC293803
0.8451 Intermediate Similarity NPC251705
0.8429 Intermediate Similarity NPC251929
0.8429 Intermediate Similarity NPC40574
0.8429 Intermediate Similarity NPC159577
0.8429 Intermediate Similarity NPC307176
0.8429 Intermediate Similarity NPC2634
0.8429 Intermediate Similarity NPC282593
0.8429 Intermediate Similarity NPC35734
0.8429 Intermediate Similarity NPC265782
0.8406 Intermediate Similarity NPC20610
0.8333 Intermediate Similarity NPC309852
0.831 Intermediate Similarity NPC54123
0.831 Intermediate Similarity NPC234707
0.831 Intermediate Similarity NPC115023
0.831 Intermediate Similarity NPC305501
0.8286 Intermediate Similarity NPC139397
0.8286 Intermediate Similarity NPC182815
0.8205 Intermediate Similarity NPC178025
0.8205 Intermediate Similarity NPC16287
0.8205 Intermediate Similarity NPC181743
0.8194 Intermediate Similarity NPC52667
0.8194 Intermediate Similarity NPC470045
0.8194 Intermediate Similarity NPC470044
0.8182 Intermediate Similarity NPC270042
0.8169 Intermediate Similarity NPC260040
0.8158 Intermediate Similarity NPC474509
0.8125 Intermediate Similarity NPC474105
0.8125 Intermediate Similarity NPC151464
0.8125 Intermediate Similarity NPC143597
0.8101 Intermediate Similarity NPC76518
0.8101 Intermediate Similarity NPC60350
0.8082 Intermediate Similarity NPC474797
0.8082 Intermediate Similarity NPC474796
0.8082 Intermediate Similarity NPC329866
0.8056 Intermediate Similarity NPC5701
0.8056 Intermediate Similarity NPC470078
0.8026 Intermediate Similarity NPC471475
0.8 Intermediate Similarity NPC212661
0.8 Intermediate Similarity NPC91665
0.8 Intermediate Similarity NPC106078
0.8 Intermediate Similarity NPC471035
0.7969 Intermediate Similarity NPC184819
0.7949 Intermediate Similarity NPC477858
0.7901 Intermediate Similarity NPC476293
0.7895 Intermediate Similarity NPC63020
0.7867 Intermediate Similarity NPC20466
0.7857 Intermediate Similarity NPC323005
0.7848 Intermediate Similarity NPC175410
0.7848 Intermediate Similarity NPC472740
0.7812 Intermediate Similarity NPC53245
0.7812 Intermediate Similarity NPC288296
0.7808 Intermediate Similarity NPC223187
0.7808 Intermediate Similarity NPC190035
0.7792 Intermediate Similarity NPC201459
0.7792 Intermediate Similarity NPC192744
0.7792 Intermediate Similarity NPC90965
0.7792 Intermediate Similarity NPC215843
0.7792 Intermediate Similarity NPC170793
0.7778 Intermediate Similarity NPC286814
0.7763 Intermediate Similarity NPC66105
0.7763 Intermediate Similarity NPC470557
0.7746 Intermediate Similarity NPC176107
0.7733 Intermediate Similarity NPC473171
0.7722 Intermediate Similarity NPC472239
0.7703 Intermediate Similarity NPC279241
0.7662 Intermediate Similarity NPC469996
0.7662 Intermediate Similarity NPC82635
0.7662 Intermediate Similarity NPC470052
0.7662 Intermediate Similarity NPC321690
0.7639 Intermediate Similarity NPC39157
0.7639 Intermediate Similarity NPC260474
0.7639 Intermediate Similarity NPC82477
0.7639 Intermediate Similarity NPC296697
0.7639 Intermediate Similarity NPC142754
0.7639 Intermediate Similarity NPC188292
0.7632 Intermediate Similarity NPC246445
0.7632 Intermediate Similarity NPC469793
0.7632 Intermediate Similarity NPC469796
0.7606 Intermediate Similarity NPC92327
0.7595 Intermediate Similarity NPC103754
0.7595 Intermediate Similarity NPC474484
0.7571 Intermediate Similarity NPC285371
0.7571 Intermediate Similarity NPC212210
0.7571 Intermediate Similarity NPC469662
0.7568 Intermediate Similarity NPC225467
0.7561 Intermediate Similarity NPC70661
0.7536 Intermediate Similarity NPC60565
0.7534 Intermediate Similarity NPC256846
0.7532 Intermediate Similarity NPC68828
0.7529 Intermediate Similarity NPC23217
0.75 Intermediate Similarity NPC145143
0.75 Intermediate Similarity NPC220210
0.75 Intermediate Similarity NPC258153
0.75 Intermediate Similarity NPC20181
0.75 Intermediate Similarity NPC476458
0.75 Intermediate Similarity NPC320514
0.75 Intermediate Similarity NPC142253
0.75 Intermediate Similarity NPC3511
0.75 Intermediate Similarity NPC472867
0.747 Intermediate Similarity NPC93778
0.7468 Intermediate Similarity NPC472478
0.7467 Intermediate Similarity NPC474488
0.7467 Intermediate Similarity NPC330659
0.7467 Intermediate Similarity NPC161187
0.7467 Intermediate Similarity NPC244708
0.7439 Intermediate Similarity NPC29447
0.7436 Intermediate Similarity NPC228911
0.7436 Intermediate Similarity NPC115515
0.7432 Intermediate Similarity NPC151045
0.7432 Intermediate Similarity NPC246722
0.7429 Intermediate Similarity NPC202118
0.7429 Intermediate Similarity NPC197238
0.7429 Intermediate Similarity NPC165695
0.7429 Intermediate Similarity NPC472306
0.7424 Intermediate Similarity NPC200258
0.7407 Intermediate Similarity NPC472743
0.7407 Intermediate Similarity NPC118800
0.7407 Intermediate Similarity NPC291320
0.7407 Intermediate Similarity NPC475726
0.7407 Intermediate Similarity NPC471036
0.7403 Intermediate Similarity NPC474463
0.7397 Intermediate Similarity NPC87141
0.7397 Intermediate Similarity NPC310992
0.7391 Intermediate Similarity NPC25853
0.7381 Intermediate Similarity NPC472739
0.7375 Intermediate Similarity NPC147066
0.7368 Intermediate Similarity NPC211641
0.7353 Intermediate Similarity NPC30215
0.7349 Intermediate Similarity NPC98236
0.7349 Intermediate Similarity NPC471042
0.7349 Intermediate Similarity NPC269396
0.7344 Intermediate Similarity NPC236623
0.7342 Intermediate Similarity NPC472490
0.7342 Intermediate Similarity NPC158846
0.7333 Intermediate Similarity NPC181204
0.7333 Intermediate Similarity NPC304983
0.7317 Intermediate Similarity NPC214043
0.7317 Intermediate Similarity NPC474482
0.7317 Intermediate Similarity NPC87552
0.7317 Intermediate Similarity NPC146683
0.7317 Intermediate Similarity NPC475745
0.7317 Intermediate Similarity NPC85774
0.7317 Intermediate Similarity NPC474233
0.7308 Intermediate Similarity NPC149249
0.7297 Intermediate Similarity NPC474962
0.7286 Intermediate Similarity NPC475795
0.7286 Intermediate Similarity NPC213152
0.7284 Intermediate Similarity NPC100297
0.7284 Intermediate Similarity NPC327969
0.7284 Intermediate Similarity NPC193347
0.7284 Intermediate Similarity NPC321289
0.7284 Intermediate Similarity NPC469805
0.7284 Intermediate Similarity NPC469804
0.7273 Intermediate Similarity NPC476174
0.726 Intermediate Similarity NPC475523
0.725 Intermediate Similarity NPC164999
0.7246 Intermediate Similarity NPC259261
0.7241 Intermediate Similarity NPC478129
0.7241 Intermediate Similarity NPC12722
0.7229 Intermediate Similarity NPC8571
0.7229 Intermediate Similarity NPC102292
0.7229 Intermediate Similarity NPC292553
0.7229 Intermediate Similarity NPC190704
0.7229 Intermediate Similarity NPC201655
0.7229 Intermediate Similarity NPC471034
0.7229 Intermediate Similarity NPC469948
0.7222 Intermediate Similarity NPC251118
0.7209 Intermediate Similarity NPC126993
0.7206 Intermediate Similarity NPC55004
0.7206 Intermediate Similarity NPC230823
0.7206 Intermediate Similarity NPC267626
0.7206 Intermediate Similarity NPC49575
0.7206 Intermediate Similarity NPC192427
0.7195 Intermediate Similarity NPC3856
0.7195 Intermediate Similarity NPC245866
0.7195 Intermediate Similarity NPC470015
0.7195 Intermediate Similarity NPC41539
0.7195 Intermediate Similarity NPC474790
0.7195 Intermediate Similarity NPC168188
0.7195 Intermediate Similarity NPC279639
0.7195 Intermediate Similarity NPC470047
0.7195 Intermediate Similarity NPC470046
0.7195 Intermediate Similarity NPC474976
0.7191 Intermediate Similarity NPC29152
0.7176 Intermediate Similarity NPC117122

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC477857 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
0.8429 Intermediate Similarity NPD4747 Approved
0.8429 Intermediate Similarity NPD4691 Approved
0.8286 Intermediate Similarity NPD4137 Phase 3
0.8082 Intermediate Similarity NPD4058 Approved
0.8082 Intermediate Similarity NPD5733 Approved
0.7887 Intermediate Similarity NPD3621 Clinical (unspecified phase)
0.7848 Intermediate Similarity NPD4788 Approved
0.7838 Intermediate Similarity NPD4687 Approved
0.7808 Intermediate Similarity NPD5276 Approved
0.7284 Intermediate Similarity NPD4221 Approved
0.7284 Intermediate Similarity NPD4223 Phase 3
0.7229 Intermediate Similarity NPD5329 Approved
0.7108 Intermediate Similarity NPD4786 Approved
0.7108 Intermediate Similarity NPD4197 Approved
0.7024 Intermediate Similarity NPD7520 Clinical (unspecified phase)
0.7 Intermediate Similarity NPD3617 Approved
0.6988 Remote Similarity NPD3527 Clinical (unspecified phase)
0.6977 Remote Similarity NPD5737 Approved
0.6977 Remote Similarity NPD6672 Approved
0.6977 Remote Similarity NPD7513 Clinical (unspecified phase)
0.6951 Remote Similarity NPD8028 Phase 2
0.6941 Remote Similarity NPD4688 Approved
0.6941 Remote Similarity NPD5690 Phase 2
0.6941 Remote Similarity NPD6684 Approved
0.6941 Remote Similarity NPD4690 Approved
0.6941 Remote Similarity NPD4693 Phase 3
0.6941 Remote Similarity NPD7521 Approved
0.6941 Remote Similarity NPD5205 Approved
0.6941 Remote Similarity NPD4138 Approved
0.6941 Remote Similarity NPD6409 Approved
0.6941 Remote Similarity NPD7146 Approved
0.6941 Remote Similarity NPD7334 Approved
0.6941 Remote Similarity NPD5330 Approved
0.6941 Remote Similarity NPD6098 Approved
0.6941 Remote Similarity NPD4689 Approved
0.6933 Remote Similarity NPD5361 Clinical (unspecified phase)
0.6933 Remote Similarity NPD5360 Phase 3
0.6932 Remote Similarity NPD6079 Approved
0.6905 Remote Similarity NPD3666 Approved
0.6905 Remote Similarity NPD3133 Approved
0.6905 Remote Similarity NPD3665 Phase 1
0.6897 Remote Similarity NPD5328 Approved
0.6897 Remote Similarity NPD6080 Approved
0.6897 Remote Similarity NPD6673 Approved
0.6897 Remote Similarity NPD6904 Approved
0.6889 Remote Similarity NPD6356 Clinical (unspecified phase)
0.6867 Remote Similarity NPD3667 Approved
0.6782 Remote Similarity NPD6903 Approved
0.6782 Remote Similarity NPD5208 Approved
0.6778 Remote Similarity NPD6001 Approved
0.6753 Remote Similarity NPD4789 Approved
0.6744 Remote Similarity NPD3574 Clinical (unspecified phase)
0.6744 Remote Similarity NPD3618 Phase 1
0.6744 Remote Similarity NPD4694 Approved
0.6744 Remote Similarity NPD5280 Approved
0.6707 Remote Similarity NPD4195 Approved
0.6706 Remote Similarity NPD3668 Phase 3
0.6705 Remote Similarity NPD4753 Phase 2
0.6667 Remote Similarity NPD6081 Approved
0.6667 Remote Similarity NPD4224 Phase 2
0.6667 Remote Similarity NPD4809 Clinical (unspecified phase)
0.6667 Remote Similarity NPD4808 Clinical (unspecified phase)
0.6627 Remote Similarity NPD4695 Discontinued
0.6556 Remote Similarity NPD5693 Phase 1
0.6556 Remote Similarity NPD8034 Phase 2
0.6556 Remote Similarity NPD6050 Approved
0.6556 Remote Similarity NPD8035 Phase 2
0.6552 Remote Similarity NPD5279 Phase 3
0.6548 Remote Similarity NPD4692 Approved
0.6548 Remote Similarity NPD4139 Approved
0.6538 Remote Similarity NPD4245 Approved
0.6538 Remote Similarity NPD4244 Approved
0.6533 Remote Similarity NPD3171 Clinical (unspecified phase)
0.6522 Remote Similarity NPD4629 Approved
0.6522 Remote Similarity NPD5210 Approved
0.6484 Remote Similarity NPD5133 Approved
0.6484 Remote Similarity NPD6399 Phase 3
0.6484 Remote Similarity NPD4202 Approved
0.6456 Remote Similarity NPD4758 Discontinued
0.6456 Remote Similarity NPD5777 Approved
0.6452 Remote Similarity NPD5220 Clinical (unspecified phase)
0.6452 Remote Similarity NPD5221 Approved
0.6452 Remote Similarity NPD5222 Approved
0.6444 Remote Similarity NPD5692 Phase 3
0.6444 Remote Similarity NPD5207 Approved
0.641 Remote Similarity NPD3700 Clinical (unspecified phase)
0.641 Remote Similarity NPD3699 Clinical (unspecified phase)
0.641 Remote Similarity NPD3698 Phase 2
0.6389 Remote Similarity NPD287 Approved
0.6383 Remote Similarity NPD6083 Phase 2
0.6383 Remote Similarity NPD6084 Phase 2
0.6383 Remote Similarity NPD5173 Approved
0.6374 Remote Similarity NPD5281 Approved
0.6374 Remote Similarity NPD5284 Approved
0.6374 Remote Similarity NPD5694 Approved
0.6364 Remote Similarity NPD4623 Approved
0.6364 Remote Similarity NPD4519 Discontinued
0.6296 Remote Similarity NPD6113 Clinical (unspecified phase)
0.6292 Remote Similarity NPD3573 Approved
0.6277 Remote Similarity NPD4697 Phase 3
0.6264 Remote Similarity NPD4096 Approved
0.625 Remote Similarity NPD4243 Approved
0.625 Remote Similarity NPD5286 Approved
0.625 Remote Similarity NPD5285 Approved
0.625 Remote Similarity NPD4696 Approved
0.6212 Remote Similarity NPD345 Approved
0.6212 Remote Similarity NPD344 Approved
0.6212 Remote Similarity NPD343 Approved
0.6211 Remote Similarity NPD5959 Approved
0.6211 Remote Similarity NPD4755 Approved
0.6196 Remote Similarity NPD7515 Phase 2
0.619 Remote Similarity NPD5364 Discontinued
0.6186 Remote Similarity NPD5223 Approved
0.617 Remote Similarity NPD5695 Phase 3
0.6154 Remote Similarity NPD7285 Clinical (unspecified phase)
0.6146 Remote Similarity NPD5696 Approved
0.6145 Remote Similarity NPD6117 Approved
0.6122 Remote Similarity NPD5091 Approved
0.6122 Remote Similarity NPD5224 Approved
0.6122 Remote Similarity NPD5211 Phase 2
0.6122 Remote Similarity NPD4633 Approved
0.6122 Remote Similarity NPD5226 Approved
0.6122 Remote Similarity NPD5225 Approved
0.6098 Remote Similarity NPD4784 Approved
0.6098 Remote Similarity NPD4785 Approved
0.6092 Remote Similarity NPD4752 Clinical (unspecified phase)
0.6082 Remote Similarity NPD4700 Approved
0.6071 Remote Similarity NPD6116 Phase 1
0.6064 Remote Similarity NPD7901 Clinical (unspecified phase)
0.6064 Remote Similarity NPD5769 Clinical (unspecified phase)
0.6064 Remote Similarity NPD7748 Approved
0.6064 Remote Similarity NPD7900 Approved
0.6061 Remote Similarity NPD5175 Approved
0.6061 Remote Similarity NPD5174 Approved
0.6061 Remote Similarity NPD6052 Approved
0.6047 Remote Similarity NPD7525 Registered
0.6044 Remote Similarity NPD4518 Approved
0.604 Remote Similarity NPD6614 Approved
0.6024 Remote Similarity NPD3703 Phase 2
0.6024 Remote Similarity NPD7339 Approved
0.6024 Remote Similarity NPD6942 Approved
0.6 Remote Similarity NPD5654 Approved
0.6 Remote Similarity NPD6697 Approved
0.6 Remote Similarity NPD6115 Approved
0.6 Remote Similarity NPD6114 Approved
0.6 Remote Similarity NPD6118 Approved
0.6 Remote Similarity NPD4776 Phase 2
0.6 Remote Similarity NPD5141 Approved
0.6 Remote Similarity NPD4777 Suspended
0.598 Remote Similarity NPD6881 Approved
0.598 Remote Similarity NPD6899 Approved
0.5941 Remote Similarity NPD6402 Approved
0.5941 Remote Similarity NPD6008 Approved
0.5941 Remote Similarity NPD6675 Approved
0.5941 Remote Similarity NPD5739 Approved
0.5941 Remote Similarity NPD7128 Approved
0.5938 Remote Similarity NPD7732 Phase 3
0.5938 Remote Similarity NPD7614 Phase 1
0.5918 Remote Similarity NPD6404 Discontinued
0.59 Remote Similarity NPD4754 Approved
0.5882 Remote Similarity NPD5697 Approved
0.5876 Remote Similarity NPD7902 Approved
0.5865 Remote Similarity NPD6883 Approved
0.5865 Remote Similarity NPD7290 Approved
0.5865 Remote Similarity NPD7102 Approved
0.5833 Remote Similarity NPD4190 Phase 3
0.5833 Remote Similarity NPD5275 Approved
0.5833 Remote Similarity NPD3702 Approved
0.5825 Remote Similarity NPD6011 Approved
0.5825 Remote Similarity NPD4730 Approved
0.5825 Remote Similarity NPD4729 Approved
0.5825 Remote Similarity NPD5168 Approved
0.5825 Remote Similarity NPD5128 Approved
0.5825 Remote Similarity NPD7320 Approved
0.5816 Remote Similarity NPD7638 Approved
0.5814 Remote Similarity NPD3671 Phase 1
0.5814 Remote Similarity NPD5784 Clinical (unspecified phase)
0.581 Remote Similarity NPD6649 Approved
0.581 Remote Similarity NPD6847 Approved
0.581 Remote Similarity NPD8130 Phase 1
0.581 Remote Similarity NPD6650 Approved
0.581 Remote Similarity NPD6617 Approved
0.581 Remote Similarity NPD6869 Approved
0.5802 Remote Similarity NPD6922 Approved
0.5802 Remote Similarity NPD6923 Approved
0.5784 Remote Similarity NPD4768 Approved
0.5784 Remote Similarity NPD4767 Approved
0.5769 Remote Similarity NPD6012 Approved
0.5769 Remote Similarity NPD6373 Approved
0.5769 Remote Similarity NPD6014 Approved
0.5769 Remote Similarity NPD6013 Approved
0.5769 Remote Similarity NPD6372 Approved
0.5765 Remote Similarity NPD3701 Clinical (unspecified phase)
0.5758 Remote Similarity NPD7640 Approved
0.5758 Remote Similarity NPD7639 Approved
0.5755 Remote Similarity NPD6882 Approved
0.5755 Remote Similarity NPD8297 Approved
0.5732 Remote Similarity NPD6939 Phase 2
0.5732 Remote Similarity NPD6938 Clinical (unspecified phase)
0.5732 Remote Similarity NPD7144 Approved

Structure

External Identifiers

PubChem CID   44583619
ChEMBL   CHEMBL495810
ZINC  

Physicochemical Properties

Molecular Weight:  438.35
ALogP:  2.9804
MLogP:  4.54
XLogP:  9.386
# Rotatable Bonds:  11
Polar Surface Area:  34.14
# H-Bond Aceptor:  2
# H-Bond Donor:  0
# Rings:  5
# Heavy Atoms:  32

Download Data

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