Natural Product: NPC470078

Natural Product ID:  NPC470078
Common Name:   Cornusalterin D
IUPAC Name:   (9R,10R,13S,14S,17S)-4,4,10,13,14-pentamethyl-17-[(2S,4E)-6-methylhepta-4,6-dien-2-yl]-1,2,5,6,9,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-3-one
Synonyms:   Cornusalterin D
Molecular Formula:   C30H46O
Standard InCHIKey:  SPMYJZJNYRWSFW-ICRZDDGFSA-N
Standard InCHI:  InChI=1S/C30H46O/c1-20(2)10-9-11-21(3)22-14-18-30(8)24-12-13-25-27(4,5)26(31)16-17-28(25,6)23(24)15-19-29(22,30)7/h9-10,12,21-23,25H,1,11,13-19H2,2-8H3/b10-9+/t21-,22-,23-,25?,28+,29-,30+/m0/s1
Canonical SMILES:  CC(=C)/C=C/C[C@@H]([C@@H]1CC[C@]2([C@@]1(C)CC[C@H]1C2=CCC2[C@]1(C)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
NPO19594 Cornus walteri Species Cornaceae Eukaryota PMID[21182258]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT81 Cell Line A549 Homo sapiens IC50 = 26900 nM 16933872
NPT147 Cell Line SK-MEL-2 Homo sapiens IC50 = 12730 nM 18183025
NPT574 Cell Line XF498 Homo sapiens IC50 = 17760 nM 17958396
NPT146 Cell Line SK-OV-3 Homo sapiens IC50 = 14530 nM 26214729

  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 NPC470078 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
0.9697 High Similarity NPC182815
0.9545 High Similarity NPC20610
0.9412 High Similarity NPC115023
0.9275 High Similarity NPC251705
0.9265 High Similarity NPC159577
0.9265 High Similarity NPC35734
0.9265 High Similarity NPC282593
0.9242 High Similarity NPC323005
0.913 High Similarity NPC234707
0.9014 High Similarity NPC293803
0.9014 High Similarity NPC473171
0.9 High Similarity NPC303613
0.9 High Similarity NPC470045
0.9 High Similarity NPC474228
0.9 High Similarity NPC470044
0.8986 High Similarity NPC214770
0.8986 High Similarity NPC307176
0.8986 High Similarity NPC40574
0.8986 High Similarity NPC477856
0.8939 High Similarity NPC469662
0.8889 High Similarity NPC69408
0.8873 High Similarity NPC309852
0.8873 High Similarity NPC474796
0.8873 High Similarity NPC329866
0.8873 High Similarity NPC474797
0.8857 High Similarity NPC305501
0.8857 High Similarity NPC54123
0.8841 High Similarity NPC139397
0.8788 High Similarity NPC202118
0.8788 High Similarity NPC197238
0.8714 High Similarity NPC265782
0.8714 High Similarity NPC251929
0.8714 High Similarity NPC2634
0.8714 High Similarity NPC260040
0.8649 High Similarity NPC470052
0.8649 High Similarity NPC82635
0.8611 High Similarity NPC255021
0.8592 High Similarity NPC181204
0.8551 High Similarity NPC176107
0.8533 High Similarity NPC170793
0.8514 High Similarity NPC91665
0.8493 Intermediate Similarity NPC255650
0.8429 Intermediate Similarity NPC39157
0.8429 Intermediate Similarity NPC296697
0.8429 Intermediate Similarity NPC142754
0.8429 Intermediate Similarity NPC310992
0.8429 Intermediate Similarity NPC82477
0.8421 Intermediate Similarity NPC474509
0.8406 Intermediate Similarity NPC189917
0.8406 Intermediate Similarity NPC168824
0.8406 Intermediate Similarity NPC107704
0.8406 Intermediate Similarity NPC96812
0.8406 Intermediate Similarity NPC39462
0.8406 Intermediate Similarity NPC43300
0.8406 Intermediate Similarity NPC92327
0.8378 Intermediate Similarity NPC469793
0.8378 Intermediate Similarity NPC469796
0.8312 Intermediate Similarity NPC4166
0.831 Intermediate Similarity NPC286814
0.8286 Intermediate Similarity NPC20181
0.8286 Intermediate Similarity NPC220210
0.8267 Intermediate Similarity NPC470557
0.8205 Intermediate Similarity NPC311092
0.8169 Intermediate Similarity NPC260474
0.8169 Intermediate Similarity NPC188292
0.8101 Intermediate Similarity NPC83569
0.8101 Intermediate Similarity NPC69279
0.8088 Intermediate Similarity NPC213152
0.8088 Intermediate Similarity NPC60565
0.8082 Intermediate Similarity NPC5701
0.8082 Intermediate Similarity NPC190035
0.8082 Intermediate Similarity NPC225467
0.8082 Intermediate Similarity NPC223187
0.8077 Intermediate Similarity NPC147066
0.8056 Intermediate Similarity NPC477857
0.8056 Intermediate Similarity NPC256846
0.8052 Intermediate Similarity NPC215843
0.8052 Intermediate Similarity NPC90965
0.803 Intermediate Similarity NPC267626
0.803 Intermediate Similarity NPC230823
0.803 Intermediate Similarity NPC49575
0.803 Intermediate Similarity NPC55004
0.8028 Intermediate Similarity NPC193770
0.8 Intermediate Similarity NPC87552
0.8 Intermediate Similarity NPC268039
0.7975 Intermediate Similarity NPC469805
0.7975 Intermediate Similarity NPC469804
0.7975 Intermediate Similarity NPC320514
0.7975 Intermediate Similarity NPC472239
0.7973 Intermediate Similarity NPC474488
0.7971 Intermediate Similarity NPC165695
0.7941 Intermediate Similarity NPC127582
0.7927 Intermediate Similarity NPC476293
0.7922 Intermediate Similarity NPC469996
0.7917 Intermediate Similarity NPC87141
0.791 Intermediate Similarity NPC469769
0.7901 Intermediate Similarity NPC29447
0.7901 Intermediate Similarity NPC470048
0.7895 Intermediate Similarity NPC474463
0.7887 Intermediate Similarity NPC176171
0.7875 Intermediate Similarity NPC470046
0.7875 Intermediate Similarity NPC279639
0.7875 Intermediate Similarity NPC470047
0.7875 Intermediate Similarity NPC474790
0.7875 Intermediate Similarity NPC3856
0.7875 Intermediate Similarity NPC474976
0.7875 Intermediate Similarity NPC21667
0.7857 Intermediate Similarity NPC475124
0.7857 Intermediate Similarity NPC212210
0.7857 Intermediate Similarity NPC285371
0.7848 Intermediate Similarity NPC38350
0.7848 Intermediate Similarity NPC201912
0.7831 Intermediate Similarity NPC472220
0.7831 Intermediate Similarity NPC97884
0.7821 Intermediate Similarity NPC477371
0.7805 Intermediate Similarity NPC473168
0.7794 Intermediate Similarity NPC472304
0.7794 Intermediate Similarity NPC276764
0.7778 Intermediate Similarity NPC82902
0.7778 Intermediate Similarity NPC214043
0.7778 Intermediate Similarity NPC59453
0.7778 Intermediate Similarity NPC221758
0.7778 Intermediate Similarity NPC85774
0.775 Intermediate Similarity NPC193347
0.775 Intermediate Similarity NPC260956
0.775 Intermediate Similarity NPC3511
0.775 Intermediate Similarity NPC142253
0.775 Intermediate Similarity NPC100297
0.775 Intermediate Similarity NPC469806
0.775 Intermediate Similarity NPC469799
0.775 Intermediate Similarity NPC472867
0.7746 Intermediate Similarity NPC251118
0.7727 Intermediate Similarity NPC200258
0.7722 Intermediate Similarity NPC472478
0.7722 Intermediate Similarity NPC469798
0.7722 Intermediate Similarity NPC469797
0.7714 Intermediate Similarity NPC472306
0.7711 Intermediate Similarity NPC93778
0.7711 Intermediate Similarity NPC163016
0.7711 Intermediate Similarity NPC136548
0.7711 Intermediate Similarity NPC75315
0.7711 Intermediate Similarity NPC58063
0.7683 Intermediate Similarity NPC474218
0.7683 Intermediate Similarity NPC471224
0.7683 Intermediate Similarity NPC470223
0.7683 Intermediate Similarity NPC469948
0.7681 Intermediate Similarity NPC25853
0.7654 Intermediate Similarity NPC41539
0.7647 Intermediate Similarity NPC30215
0.7647 Intermediate Similarity NPC266295
0.7647 Intermediate Similarity NPC27610
0.7647 Intermediate Similarity NPC94991
0.7647 Intermediate Similarity NPC56905
0.7632 Intermediate Similarity NPC159497
0.7625 Intermediate Similarity NPC477372
0.7625 Intermediate Similarity NPC474955
0.7606 Intermediate Similarity NPC4638
0.7595 Intermediate Similarity NPC190211
0.7595 Intermediate Similarity NPC474113
0.759 Intermediate Similarity NPC89077
0.759 Intermediate Similarity NPC470051
0.759 Intermediate Similarity NPC474732
0.759 Intermediate Similarity NPC474778
0.759 Intermediate Similarity NPC145879
0.759 Intermediate Similarity NPC222613
0.759 Intermediate Similarity NPC31564
0.759 Intermediate Similarity NPC264127
0.759 Intermediate Similarity NPC474733
0.759 Intermediate Similarity NPC475022
0.759 Intermediate Similarity NPC470050
0.759 Intermediate Similarity NPC51014
0.759 Intermediate Similarity NPC469994
0.759 Intermediate Similarity NPC118648
0.7561 Intermediate Similarity NPC181743
0.7561 Intermediate Similarity NPC178025
0.7561 Intermediate Similarity NPC237712
0.7561 Intermediate Similarity NPC144258
0.7561 Intermediate Similarity NPC473246
0.7561 Intermediate Similarity NPC16287
0.7558 Intermediate Similarity NPC204341
0.7536 Intermediate Similarity NPC259261
0.7534 Intermediate Similarity NPC475523
0.7531 Intermediate Similarity NPC321289
0.7531 Intermediate Similarity NPC327969
0.7531 Intermediate Similarity NPC328351
0.7531 Intermediate Similarity NPC133391
0.7531 Intermediate Similarity NPC240302
0.7531 Intermediate Similarity NPC151519
0.7529 Intermediate Similarity NPC262043
0.7529 Intermediate Similarity NPC2983
0.7529 Intermediate Similarity NPC474844
0.75 Intermediate Similarity NPC141292
0.75 Intermediate Similarity NPC317590
0.75 Intermediate Similarity NPC115385
0.75 Intermediate Similarity NPC136948
0.75 Intermediate Similarity NPC287063
0.75 Intermediate Similarity NPC96496
0.75 Intermediate Similarity NPC90652
0.75 Intermediate Similarity NPC475740
0.747 Intermediate Similarity NPC60350

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC470078 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
0.9143 High Similarity NPD4687 Approved
0.9143 High Similarity NPD4058 Approved
0.9143 High Similarity NPD5733 Approved
0.8986 High Similarity NPD4747 Approved
0.8971 High Similarity NPD3621 Clinical (unspecified phase)
0.8857 High Similarity NPD5276 Approved
0.8841 High Similarity NPD4137 Phase 3
0.8714 High Similarity NPD4691 Approved
0.7875 Intermediate Similarity NPD3527 Clinical (unspecified phase)
0.7778 Intermediate Similarity NPD4786 Approved
0.775 Intermediate Similarity NPD4221 Approved
0.775 Intermediate Similarity NPD4223 Phase 3
0.7683 Intermediate Similarity NPD5329 Approved
0.759 Intermediate Similarity NPD5280 Approved
0.759 Intermediate Similarity NPD6098 Approved
0.759 Intermediate Similarity NPD4694 Approved
0.7561 Intermediate Similarity NPD4197 Approved
0.7531 Intermediate Similarity NPD3667 Approved
0.7442 Intermediate Similarity NPD5207 Approved
0.7412 Intermediate Similarity NPD5737 Approved
0.7412 Intermediate Similarity NPD6672 Approved
0.7381 Intermediate Similarity NPD6684 Approved
0.7381 Intermediate Similarity NPD4688 Approved
0.7381 Intermediate Similarity NPD7334 Approved
0.7381 Intermediate Similarity NPD5690 Phase 2
0.7381 Intermediate Similarity NPD4690 Approved
0.7381 Intermediate Similarity NPD5279 Phase 3
0.7381 Intermediate Similarity NPD4138 Approved
0.7381 Intermediate Similarity NPD5205 Approved
0.7381 Intermediate Similarity NPD4689 Approved
0.7381 Intermediate Similarity NPD7521 Approved
0.7381 Intermediate Similarity NPD4693 Phase 3
0.7381 Intermediate Similarity NPD6409 Approved
0.7381 Intermediate Similarity NPD5330 Approved
0.7381 Intermediate Similarity NPD7146 Approved
0.7356 Intermediate Similarity NPD5281 Approved
0.7356 Intermediate Similarity NPD5694 Approved
0.7356 Intermediate Similarity NPD6079 Approved
0.7356 Intermediate Similarity NPD6050 Approved
0.7356 Intermediate Similarity NPD5284 Approved
0.7349 Intermediate Similarity NPD3668 Phase 3
0.7349 Intermediate Similarity NPD3665 Phase 1
0.7349 Intermediate Similarity NPD3133 Approved
0.7349 Intermediate Similarity NPD3666 Approved
0.7326 Intermediate Similarity NPD6080 Approved
0.7326 Intermediate Similarity NPD6904 Approved
0.7326 Intermediate Similarity NPD5328 Approved
0.7326 Intermediate Similarity NPD6673 Approved
0.725 Intermediate Similarity NPD3617 Approved
0.7241 Intermediate Similarity NPD5692 Phase 3
0.7209 Intermediate Similarity NPD6903 Approved
0.7209 Intermediate Similarity NPD5208 Approved
0.7209 Intermediate Similarity NPD7513 Clinical (unspecified phase)
0.7179 Intermediate Similarity NPD4785 Approved
0.7179 Intermediate Similarity NPD4784 Approved
0.7176 Intermediate Similarity NPD3618 Phase 1
0.716 Intermediate Similarity NPD4195 Approved
0.7143 Intermediate Similarity NPD4243 Approved
0.7143 Intermediate Similarity NPD287 Approved
0.7126 Intermediate Similarity NPD4753 Phase 2
0.7079 Intermediate Similarity NPD6399 Phase 3
0.7045 Intermediate Similarity NPD4096 Approved
0.7013 Intermediate Similarity NPD7144 Approved
0.7013 Intermediate Similarity NPD7143 Approved
0.7011 Intermediate Similarity NPD4518 Approved
0.6988 Remote Similarity NPD4692 Approved
0.6988 Remote Similarity NPD8028 Phase 2
0.6988 Remote Similarity NPD4139 Approved
0.6977 Remote Similarity NPD4623 Approved
0.6977 Remote Similarity NPD4519 Discontinued
0.6977 Remote Similarity NPD3574 Clinical (unspecified phase)
0.6966 Remote Similarity NPD5693 Phase 1
0.6923 Remote Similarity NPD7151 Approved
0.6923 Remote Similarity NPD7150 Approved
0.6923 Remote Similarity NPD4629 Approved
0.6923 Remote Similarity NPD7152 Approved
0.6923 Remote Similarity NPD6356 Clinical (unspecified phase)
0.6923 Remote Similarity NPD5210 Approved
0.6889 Remote Similarity NPD5133 Approved
0.6889 Remote Similarity NPD4202 Approved
0.6883 Remote Similarity NPD6923 Approved
0.6883 Remote Similarity NPD6922 Approved
0.6875 Remote Similarity NPD6942 Approved
0.6875 Remote Similarity NPD7339 Approved
0.6867 Remote Similarity NPD4695 Discontinued
0.6848 Remote Similarity NPD5221 Approved
0.6848 Remote Similarity NPD5220 Clinical (unspecified phase)
0.6848 Remote Similarity NPD5222 Approved
0.6824 Remote Similarity NPD4788 Approved
0.6813 Remote Similarity NPD6001 Approved
0.6774 Remote Similarity NPD6084 Phase 2
0.6774 Remote Similarity NPD6083 Phase 2
0.6774 Remote Similarity NPD5173 Approved
0.6742 Remote Similarity NPD7285 Clinical (unspecified phase)
0.6739 Remote Similarity NPD5654 Approved
0.6705 Remote Similarity NPD3573 Approved
0.6667 Remote Similarity NPD4190 Phase 3
0.6667 Remote Similarity NPD4697 Phase 3
0.6667 Remote Similarity NPD5275 Approved
0.6632 Remote Similarity NPD4696 Approved
0.6632 Remote Similarity NPD5286 Approved
0.6632 Remote Similarity NPD5285 Approved
0.663 Remote Similarity NPD5769 Clinical (unspecified phase)
0.6596 Remote Similarity NPD5959 Approved
0.6596 Remote Similarity NPD4755 Approved
0.6582 Remote Similarity NPD6939 Phase 2
0.6582 Remote Similarity NPD6938 Clinical (unspecified phase)
0.6562 Remote Similarity NPD5223 Approved
0.6559 Remote Similarity NPD5695 Phase 3
0.6543 Remote Similarity NPD6926 Approved
0.6543 Remote Similarity NPD6924 Approved
0.6526 Remote Similarity NPD5696 Approved
0.6506 Remote Similarity NPD6932 Approved
0.6495 Remote Similarity NPD5226 Approved
0.6495 Remote Similarity NPD4633 Approved
0.6495 Remote Similarity NPD5224 Approved
0.6495 Remote Similarity NPD5211 Phase 2
0.6495 Remote Similarity NPD5225 Approved
0.6495 Remote Similarity NPD5091 Approved
0.6477 Remote Similarity NPD7520 Clinical (unspecified phase)
0.6458 Remote Similarity NPD4700 Approved
0.6458 Remote Similarity NPD6404 Discontinued
0.6429 Remote Similarity NPD6052 Approved
0.6429 Remote Similarity NPD5784 Clinical (unspecified phase)
0.6429 Remote Similarity NPD7145 Approved
0.6429 Remote Similarity NPD5174 Approved
0.6429 Remote Similarity NPD5175 Approved
0.6421 Remote Similarity NPD3495 Discontinued
0.6413 Remote Similarity NPD7515 Phase 2
0.64 Remote Similarity NPD6614 Approved
0.6386 Remote Similarity NPD3701 Clinical (unspecified phase)
0.6386 Remote Similarity NPD6933 Approved
0.6364 Remote Similarity NPD5141 Approved
0.6337 Remote Similarity NPD6881 Approved
0.6337 Remote Similarity NPD6899 Approved
0.6329 Remote Similarity NPD5360 Phase 3
0.6329 Remote Similarity NPD5361 Clinical (unspecified phase)
0.6324 Remote Similarity NPD8262 Approved
0.631 Remote Similarity NPD6925 Approved
0.631 Remote Similarity NPD5776 Phase 2
0.63 Remote Similarity NPD5739 Approved
0.63 Remote Similarity NPD6402 Approved
0.63 Remote Similarity NPD7128 Approved
0.63 Remote Similarity NPD6675 Approved
0.6279 Remote Similarity NPD7525 Registered
0.6279 Remote Similarity NPD8259 Clinical (unspecified phase)
0.6279 Remote Similarity NPD7514 Phase 3
0.6277 Remote Similarity NPD7901 Clinical (unspecified phase)
0.6277 Remote Similarity NPD7748 Approved
0.6277 Remote Similarity NPD7900 Approved
0.6265 Remote Similarity NPD8039 Approved
0.6263 Remote Similarity NPD4754 Approved
0.6238 Remote Similarity NPD5697 Approved
0.6237 Remote Similarity NPD7637 Suspended
0.6235 Remote Similarity NPD7322 Clinical (unspecified phase)
0.6214 Remote Similarity NPD7290 Approved
0.6214 Remote Similarity NPD6883 Approved
0.6214 Remote Similarity NPD7102 Approved
0.6207 Remote Similarity NPD6902 Approved
0.6196 Remote Similarity NPD6051 Approved
0.619 Remote Similarity NPD7094 Approved
0.619 Remote Similarity NPD6858 Approved
0.6176 Remote Similarity NPD4730 Approved
0.6176 Remote Similarity NPD5168 Approved
0.6176 Remote Similarity NPD6011 Approved
0.6176 Remote Similarity NPD4729 Approved
0.6176 Remote Similarity NPD7320 Approved
0.6173 Remote Similarity NPD4789 Approved
0.617 Remote Similarity NPD7631 Approved
0.6163 Remote Similarity NPD6929 Approved
0.6163 Remote Similarity NPD6683 Phase 2
0.6154 Remote Similarity NPD6650 Approved
0.6154 Remote Similarity NPD8130 Phase 1
0.6154 Remote Similarity NPD6869 Approved
0.6154 Remote Similarity NPD6617 Approved
0.6154 Remote Similarity NPD3171 Clinical (unspecified phase)
0.6154 Remote Similarity NPD6649 Approved
0.6154 Remote Similarity NPD6847 Approved
0.6139 Remote Similarity NPD4768 Approved
0.6139 Remote Similarity NPD4767 Approved
0.6139 Remote Similarity NPD6008 Approved
0.6136 Remote Similarity NPD4752 Clinical (unspecified phase)
0.6117 Remote Similarity NPD6372 Approved
0.6117 Remote Similarity NPD6014 Approved
0.6117 Remote Similarity NPD6013 Approved
0.6117 Remote Similarity NPD6373 Approved
0.6117 Remote Similarity NPD6012 Approved
0.6098 Remote Similarity NPD6081 Approved
0.6098 Remote Similarity NPD4808 Clinical (unspecified phase)
0.6098 Remote Similarity NPD4809 Clinical (unspecified phase)
0.6095 Remote Similarity NPD6882 Approved
0.6095 Remote Similarity NPD8297 Approved
0.6092 Remote Similarity NPD7332 Phase 2
0.6092 Remote Similarity NPD6931 Approved
0.6092 Remote Similarity NPD6930 Phase 2
0.6082 Remote Similarity NPD7902 Approved
0.6078 Remote Similarity NPD6412 Phase 2
0.6078 Remote Similarity NPD5701 Approved
0.6076 Remote Similarity NPD4224 Phase 2
0.6076 Remote Similarity NPD7331 Phase 2

Structure

External Identifiers

PubChem CID   53318193
ChEMBL   CHEMBL1669592
ZINC  

Physicochemical Properties

Molecular Weight:  422.35
ALogP:  4.0562
MLogP:  4.65
XLogP:  10.279
# Rotatable Bonds:  11
Polar Surface Area:  17.07
# H-Bond Aceptor:  1
# H-Bond Donor:  0
# Rings:  4
# Heavy Atoms:  31

Download Data

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General Info & Identifiers & Properties  
Structure MOL file  
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Biological Activities  
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