Natural Product: NPC470077

Natural Product ID:  NPC470077
Common Name:   Cornusalterin A
IUPAC Name:   (3S,9R,10R,13S,14S,17S)-17-[(E,2S)-6-methoxy-6-methylhept-4-en-2-yl]-4,4,10,13,14-pentamethyl-2,3,5,6,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol
Synonyms:   Cornusalterin A
Molecular Formula:   C31H52O2
Standard InCHIKey:  XQBDRFMUTUDWCI-SXQODDTDSA-N
Standard InCHI:  InChI=1S/C31H52O2/c1-21(11-10-17-27(2,3)33-9)22-14-19-31(8)24-12-13-25-28(4,5)26(32)16-18-29(25,6)23(24)15-20-30(22,31)7/h10,12,17,21-23,25-26,32H,11,13-16,18-20H2,1-9H3/b17-10+/t21-,22-,23-,25?,26-,29+,30-,31+/m0/s1
Canonical SMILES:  COC(/C=C/C[C@@H]([C@@H]1CC[C@]2([C@@]1(C)CC[C@H]1C2=CCC2[C@]1(C)CC[C@@H](C2(C)C)O)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 = 22170 nM 16933872
NPT147 Cell Line SK-MEL-2 Homo sapiens IC50 = 12070 nM 21440449
NPT574 Cell Line XF498 Homo sapiens IC50 = 17430 nM 17958396
NPT146 Cell Line SK-OV-3 Homo sapiens IC50 = 12520 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 NPC470077 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
0.9744 High Similarity NPC470049
0.9625 High Similarity NPC274448
0.9625 High Similarity NPC157257
0.962 High Similarity NPC470558
0.939 High Similarity NPC149224
0.9367 High Similarity NPC474752
0.9367 High Similarity NPC474683
0.9367 High Similarity NPC474759
0.9367 High Similarity NPC7505
0.9367 High Similarity NPC82986
0.9367 High Similarity NPC474731
0.9286 High Similarity NPC295668
0.925 High Similarity NPC296701
0.925 High Similarity NPC49964
0.925 High Similarity NPC87489
0.925 High Similarity NPC218616
0.9146 High Similarity NPC266511
0.9146 High Similarity NPC318390
0.9125 High Similarity NPC47761
0.9125 High Similarity NPC264245
0.9114 High Similarity NPC30986
0.9114 High Similarity NPC209430
0.9036 High Similarity NPC261266
0.9024 High Similarity NPC205845
0.9024 High Similarity NPC231310
0.9024 High Similarity NPC474047
0.9 High Similarity NPC164840
0.9 High Similarity NPC234193
0.9 High Similarity NPC241290
0.9 High Similarity NPC209944
0.8987 High Similarity NPC285761
0.8974 High Similarity NPC189883
0.8974 High Similarity NPC134330
0.8974 High Similarity NPC129165
0.8966 High Similarity NPC127718
0.8966 High Similarity NPC144202
0.8966 High Similarity NPC65402
0.8916 High Similarity NPC470360
0.8902 High Similarity NPC134481
0.8902 High Similarity NPC82623
0.8902 High Similarity NPC475789
0.8875 High Similarity NPC80530
0.8875 High Similarity NPC109546
0.8875 High Similarity NPC81306
0.8875 High Similarity NPC143182
0.8875 High Similarity NPC84694
0.8875 High Similarity NPC273410
0.8875 High Similarity NPC1319
0.8875 High Similarity NPC28862
0.8875 High Similarity NPC47982
0.8864 High Similarity NPC8774
0.8861 High Similarity NPC318495
0.8861 High Similarity NPC155986
0.8861 High Similarity NPC198968
0.8861 High Similarity NPC214570
0.8851 High Similarity NPC27531
0.8846 High Similarity NPC257347
0.8846 High Similarity NPC141071
0.8846 High Similarity NPC471723
0.8824 High Similarity NPC133588
0.8824 High Similarity NPC471952
0.881 High Similarity NPC299068
0.881 High Similarity NPC6391
0.8795 High Similarity NPC238485
0.878 High Similarity NPC304285
0.878 High Similarity NPC101462
0.878 High Similarity NPC30166
0.878 High Similarity NPC50964
0.878 High Similarity NPC202389
0.878 High Similarity NPC155521
0.8765 High Similarity NPC13554
0.8765 High Similarity NPC322313
0.8765 High Similarity NPC236237
0.8765 High Similarity NPC236112
0.8765 High Similarity NPC102253
0.8764 High Similarity NPC98457
0.8764 High Similarity NPC227583
0.8764 High Similarity NPC12103
0.8764 High Similarity NPC288970
0.875 High Similarity NPC167037
0.875 High Similarity NPC244385
0.875 High Similarity NPC474216
0.875 High Similarity NPC138621
0.875 High Similarity NPC6978
0.875 High Similarity NPC275910
0.875 High Similarity NPC473943
0.8734 High Similarity NPC247325
0.8734 High Similarity NPC244488
0.8734 High Similarity NPC300324
0.8734 High Similarity NPC113733
0.8734 High Similarity NPC46160
0.8734 High Similarity NPC73875
0.8734 High Similarity NPC321016
0.8734 High Similarity NPC240604
0.8734 High Similarity NPC321381
0.8734 High Similarity NPC237460
0.8734 High Similarity NPC107059
0.8734 High Similarity NPC202642
0.8734 High Similarity NPC470362
0.8675 High Similarity NPC317458
0.8675 High Similarity NPC474634
0.8659 High Similarity NPC23852
0.8659 High Similarity NPC474531
0.8659 High Similarity NPC209620
0.8642 High Similarity NPC328714
0.8625 High Similarity NPC470758
0.8625 High Similarity NPC470711
0.8625 High Similarity NPC91594
0.8621 High Similarity NPC291484
0.8621 High Similarity NPC3345
0.8621 High Similarity NPC204188
0.8621 High Similarity NPC80561
0.8621 High Similarity NPC11216
0.8621 High Similarity NPC329596
0.8608 High Similarity NPC230301
0.8608 High Similarity NPC304309
0.8608 High Similarity NPC322353
0.8608 High Similarity NPC285893
0.8608 High Similarity NPC121744
0.8608 High Similarity NPC288035
0.8608 High Similarity NPC134847
0.8608 High Similarity NPC22105
0.8608 High Similarity NPC136188
0.8608 High Similarity NPC118508
0.8608 High Similarity NPC28657
0.8608 High Similarity NPC162742
0.859 High Similarity NPC182717
0.8588 High Similarity NPC125399
0.8571 High Similarity NPC15534
0.8571 High Similarity NPC185568
0.8554 High Similarity NPC189972
0.8523 High Similarity NPC41554
0.8523 High Similarity NPC177641
0.8523 High Similarity NPC97404
0.8519 High Similarity NPC302041
0.8519 High Similarity NPC477522
0.8519 High Similarity NPC85346
0.8519 High Similarity NPC18603
0.8519 High Similarity NPC205455
0.8519 High Similarity NPC477514
0.8519 High Similarity NPC186191
0.8519 High Similarity NPC11908
0.8519 High Similarity NPC307965
0.8519 High Similarity NPC76931
0.8519 High Similarity NPC87604
0.8519 High Similarity NPC65897
0.8506 High Similarity NPC101886
0.8506 High Similarity NPC470361
0.85 High Similarity NPC265588
0.85 High Similarity NPC470749
0.8481 Intermediate Similarity NPC469533
0.8481 Intermediate Similarity NPC243342
0.8481 Intermediate Similarity NPC469534
0.8481 Intermediate Similarity NPC201048
0.8481 Intermediate Similarity NPC469593
0.8481 Intermediate Similarity NPC476366
0.8481 Intermediate Similarity NPC91858
0.8481 Intermediate Similarity NPC477138
0.8471 Intermediate Similarity NPC477578
0.8462 Intermediate Similarity NPC167706
0.8462 Intermediate Similarity NPC126815
0.8462 Intermediate Similarity NPC210337
0.8462 Intermediate Similarity NPC291634
0.8452 Intermediate Similarity NPC470384
0.8452 Intermediate Similarity NPC477818
0.8452 Intermediate Similarity NPC207013
0.8434 Intermediate Similarity NPC476646
0.8434 Intermediate Similarity NPC70927
0.8434 Intermediate Similarity NPC470383
0.8434 Intermediate Similarity NPC6707
0.8434 Intermediate Similarity NPC249423
0.8427 Intermediate Similarity NPC307776
0.8409 Intermediate Similarity NPC270511
0.8409 Intermediate Similarity NPC470390
0.8409 Intermediate Similarity NPC92885
0.8409 Intermediate Similarity NPC476226
0.8409 Intermediate Similarity NPC245410
0.8409 Intermediate Similarity NPC14380
0.8409 Intermediate Similarity NPC192437
0.8409 Intermediate Similarity NPC77796
0.8395 Intermediate Similarity NPC34019
0.8395 Intermediate Similarity NPC471798
0.8391 Intermediate Similarity NPC474668
0.8391 Intermediate Similarity NPC212596
0.8391 Intermediate Similarity NPC4574
0.8375 Intermediate Similarity NPC185536
0.8375 Intermediate Similarity NPC291503
0.8375 Intermediate Similarity NPC3403
0.8372 Intermediate Similarity NPC94462
0.8372 Intermediate Similarity NPC152808
0.8372 Intermediate Similarity NPC139724
0.8372 Intermediate Similarity NPC293287
0.8372 Intermediate Similarity NPC474970
0.8354 Intermediate Similarity NPC201373
0.8354 Intermediate Similarity NPC474140
0.8354 Intermediate Similarity NPC471799
0.8353 Intermediate Similarity NPC474493
0.8353 Intermediate Similarity NPC478102
0.8353 Intermediate Similarity NPC124172
0.8353 Intermediate Similarity NPC209802

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC470077 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
0.8765 High Similarity NPD7525 Registered
0.8608 High Similarity NPD7339 Approved
0.8608 High Similarity NPD6942 Approved
0.8272 Intermediate Similarity NPD3701 Clinical (unspecified phase)
0.8193 Intermediate Similarity NPD7645 Phase 2
0.8068 Intermediate Similarity NPD4751 Clinical (unspecified phase)
0.8025 Intermediate Similarity NPD6924 Approved
0.8025 Intermediate Similarity NPD4785 Approved
0.8025 Intermediate Similarity NPD4784 Approved
0.8025 Intermediate Similarity NPD6926 Approved
0.8 Intermediate Similarity NPD4243 Approved
0.7931 Intermediate Similarity NPD4786 Approved
0.7912 Intermediate Similarity NPD6079 Approved
0.7889 Intermediate Similarity NPD5328 Approved
0.7831 Intermediate Similarity NPD6933 Approved
0.7789 Intermediate Similarity NPD7638 Approved
0.7778 Intermediate Similarity NPD7150 Approved
0.7778 Intermediate Similarity NPD7151 Approved
0.7778 Intermediate Similarity NPD7152 Approved
0.7753 Intermediate Similarity NPD3618 Phase 1
0.7708 Intermediate Similarity NPD7640 Approved
0.7708 Intermediate Similarity NPD7639 Approved
0.7701 Intermediate Similarity NPD3667 Approved
0.7692 Intermediate Similarity NPD6051 Approved
0.7674 Intermediate Similarity NPD6931 Approved
0.7674 Intermediate Similarity NPD4748 Discontinued
0.7674 Intermediate Similarity NPD7514 Phase 3
0.7674 Intermediate Similarity NPD6930 Phase 2
0.7654 Intermediate Similarity NPD7144 Approved
0.7654 Intermediate Similarity NPD7143 Approved
0.7647 Intermediate Similarity NPD7322 Clinical (unspecified phase)
0.7634 Intermediate Similarity NPD4202 Approved
0.7614 Intermediate Similarity NPD6695 Phase 3
0.7558 Intermediate Similarity NPD4195 Approved
0.7558 Intermediate Similarity NPD6929 Approved
0.7531 Intermediate Similarity NPD6922 Approved
0.7531 Intermediate Similarity NPD6923 Approved
0.7529 Intermediate Similarity NPD6932 Approved
0.7528 Intermediate Similarity NPD7338 Clinical (unspecified phase)
0.75 Intermediate Similarity NPD8264 Approved
0.75 Intermediate Similarity NPD5275 Approved
0.75 Intermediate Similarity NPD4190 Phase 3
0.7471 Intermediate Similarity NPD7509 Discontinued
0.7471 Intermediate Similarity NPD7332 Phase 2
0.7442 Intermediate Similarity NPD7145 Approved
0.7396 Intermediate Similarity NPD5222 Approved
0.7396 Intermediate Similarity NPD5221 Approved
0.7396 Intermediate Similarity NPD5220 Clinical (unspecified phase)
0.7386 Intermediate Similarity NPD6902 Approved
0.7374 Intermediate Similarity NPD5211 Phase 2
0.7347 Intermediate Similarity NPD5286 Approved
0.7347 Intermediate Similarity NPD4696 Approved
0.7347 Intermediate Similarity NPD5285 Approved
0.7333 Intermediate Similarity NPD3133 Approved
0.7333 Intermediate Similarity NPD3665 Phase 1
0.7333 Intermediate Similarity NPD3666 Approved
0.7326 Intermediate Similarity NPD5776 Phase 2
0.7326 Intermediate Similarity NPD6925 Approved
0.732 Intermediate Similarity NPD5173 Approved
0.732 Intermediate Similarity NPD4755 Approved
0.729 Intermediate Similarity NPD7115 Discovery
0.7283 Intermediate Similarity NPD7524 Approved
0.7283 Intermediate Similarity NPD7750 Discontinued
0.7273 Intermediate Similarity NPD4159 Approved
0.7273 Intermediate Similarity NPD5223 Approved
0.7263 Intermediate Similarity NPD6399 Phase 3
0.7253 Intermediate Similarity NPD7520 Clinical (unspecified phase)
0.7253 Intermediate Similarity NPD6893 Approved
0.7228 Intermediate Similarity NPD5141 Approved
0.7216 Intermediate Similarity NPD4697 Phase 3
0.72 Intermediate Similarity NPD5225 Approved
0.72 Intermediate Similarity NPD4633 Approved
0.72 Intermediate Similarity NPD5226 Approved
0.72 Intermediate Similarity NPD5224 Approved
0.7184 Intermediate Similarity NPD6881 Approved
0.7184 Intermediate Similarity NPD6899 Approved
0.7172 Intermediate Similarity NPD4700 Approved
0.7159 Intermediate Similarity NPD6683 Phase 2
0.7157 Intermediate Similarity NPD7128 Approved
0.7157 Intermediate Similarity NPD6675 Approved
0.7157 Intermediate Similarity NPD5739 Approved
0.7157 Intermediate Similarity NPD6402 Approved
0.7129 Intermediate Similarity NPD5175 Approved
0.7129 Intermediate Similarity NPD5174 Approved
0.7128 Intermediate Similarity NPD4753 Phase 2
0.7111 Intermediate Similarity NPD4221 Approved
0.7111 Intermediate Similarity NPD4223 Phase 3
0.7108 Intermediate Similarity NPD4267 Clinical (unspecified phase)
0.7087 Intermediate Similarity NPD5697 Approved
0.7071 Intermediate Similarity NPD5290 Discontinued
0.7065 Intermediate Similarity NPD5329 Approved
0.7048 Intermediate Similarity NPD7290 Approved
0.7048 Intermediate Similarity NPD7102 Approved
0.7048 Intermediate Similarity NPD6883 Approved
0.703 Intermediate Similarity NPD7632 Discontinued
0.7019 Intermediate Similarity NPD6011 Approved
0.7019 Intermediate Similarity NPD7320 Approved
0.7 Intermediate Similarity NPD6898 Phase 1
0.6989 Remote Similarity NPD5279 Phase 3
0.6981 Remote Similarity NPD6617 Approved
0.6981 Remote Similarity NPD6847 Approved
0.6981 Remote Similarity NPD8130 Phase 1
0.6981 Remote Similarity NPD6650 Approved
0.6981 Remote Similarity NPD6869 Approved
0.6981 Remote Similarity NPD6649 Approved
0.6979 Remote Similarity NPD7087 Discontinued
0.6979 Remote Similarity NPD7515 Phase 2
0.697 Remote Similarity NPD6083 Phase 2
0.697 Remote Similarity NPD6084 Phase 2
0.6961 Remote Similarity NPD4754 Approved
0.6957 Remote Similarity NPD4197 Approved
0.6957 Remote Similarity NPD3668 Phase 3
0.6952 Remote Similarity NPD6013 Approved
0.6952 Remote Similarity NPD6012 Approved
0.6952 Remote Similarity NPD6014 Approved
0.6952 Remote Similarity NPD6372 Approved
0.6952 Remote Similarity NPD6373 Approved
0.6939 Remote Similarity NPD4629 Approved
0.6939 Remote Similarity NPD5210 Approved
0.6923 Remote Similarity NPD5701 Approved
0.6916 Remote Similarity NPD6882 Approved
0.6916 Remote Similarity NPD8297 Approved
0.6909 Remote Similarity NPD7328 Approved
0.6909 Remote Similarity NPD7327 Approved
0.69 Remote Similarity NPD4225 Approved
0.6875 Remote Similarity NPD7503 Approved
0.6875 Remote Similarity NPD368 Approved
0.6857 Remote Similarity NPD4730 Approved
0.6857 Remote Similarity NPD4729 Approved
0.6848 Remote Similarity NPD4788 Approved
0.6847 Remote Similarity NPD7516 Approved
0.6837 Remote Similarity NPD7748 Approved
0.6827 Remote Similarity NPD4768 Approved
0.6827 Remote Similarity NPD4767 Approved
0.6824 Remote Similarity NPD4787 Phase 1
0.6822 Remote Similarity NPD6401 Clinical (unspecified phase)
0.6809 Remote Similarity NPD4138 Approved
0.6809 Remote Similarity NPD7521 Approved
0.6809 Remote Similarity NPD5330 Approved
0.6809 Remote Similarity NPD5205 Approved
0.6809 Remote Similarity NPD3574 Clinical (unspecified phase)
0.6809 Remote Similarity NPD5690 Phase 2
0.6809 Remote Similarity NPD4689 Approved
0.6809 Remote Similarity NPD4519 Discontinued
0.6809 Remote Similarity NPD7334 Approved
0.6809 Remote Similarity NPD6684 Approved
0.6809 Remote Similarity NPD4690 Approved
0.6809 Remote Similarity NPD7146 Approved
0.6809 Remote Similarity NPD4623 Approved
0.6809 Remote Similarity NPD4693 Phase 3
0.6809 Remote Similarity NPD6409 Approved
0.6809 Remote Similarity NPD4688 Approved
0.6804 Remote Similarity NPD8034 Phase 2
0.6804 Remote Similarity NPD8035 Phase 2
0.6804 Remote Similarity NPD7637 Suspended
0.6786 Remote Similarity NPD8294 Approved
0.6786 Remote Similarity NPD8377 Approved
0.6729 Remote Similarity NPD5249 Phase 3
0.6729 Remote Similarity NPD5251 Approved
0.6729 Remote Similarity NPD5134 Clinical (unspecified phase)
0.6729 Remote Similarity NPD5247 Approved
0.6729 Remote Similarity NPD5135 Approved
0.6729 Remote Similarity NPD5250 Approved
0.6729 Remote Similarity NPD5169 Approved
0.6729 Remote Similarity NPD5248 Approved
0.6729 Remote Similarity NPD4634 Approved
0.6726 Remote Similarity NPD8379 Approved
0.6726 Remote Similarity NPD8033 Approved
0.6726 Remote Similarity NPD8296 Approved
0.6726 Remote Similarity NPD8378 Approved
0.6726 Remote Similarity NPD8380 Approved
0.6726 Remote Similarity NPD8335 Approved
0.6698 Remote Similarity NPD5168 Approved
0.6698 Remote Similarity NPD5128 Approved
0.6697 Remote Similarity NPD4632 Approved
0.6667 Remote Similarity NPD5215 Approved
0.6667 Remote Similarity NPD5127 Approved
0.6667 Remote Similarity NPD4723 Approved
0.6667 Remote Similarity NPD5216 Approved
0.6667 Remote Similarity NPD7513 Clinical (unspecified phase)
0.6667 Remote Similarity NPD4722 Approved
0.6667 Remote Similarity NPD6672 Approved
0.6667 Remote Similarity NPD5737 Approved
0.6667 Remote Similarity NPD6903 Approved
0.6667 Remote Similarity NPD5217 Approved
0.6634 Remote Similarity NPD7902 Approved
0.6633 Remote Similarity NPD5693 Phase 1
0.6632 Remote Similarity NPD6098 Approved
0.6632 Remote Similarity NPD5280 Approved
0.6632 Remote Similarity NPD4694 Approved
0.6607 Remote Similarity NPD6335 Approved
0.66 Remote Similarity NPD5695 Phase 3
0.66 Remote Similarity NPD6356 Clinical (unspecified phase)
0.6577 Remote Similarity NPD6868 Approved
0.6569 Remote Similarity NPD5696 Approved
0.6552 Remote Similarity NPD4809 Clinical (unspecified phase)
0.6552 Remote Similarity NPD4808 Clinical (unspecified phase)
0.6549 Remote Similarity NPD7100 Approved
0.6549 Remote Similarity NPD7101 Approved
0.6526 Remote Similarity NPD1694 Approved

Structure

External Identifiers

PubChem CID   53319543
ChEMBL   CHEMBL1669589
ZINC  

Physicochemical Properties

Molecular Weight:  456.40
ALogP:  2.8749
MLogP:  4.65
XLogP:  9.809
# Rotatable Bonds:  15
Polar Surface Area:  29.46
# H-Bond Aceptor:  2
# H-Bond Donor:  1
# Rings:  4
# Heavy Atoms:  33

Download Data

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