Natural Product: NPC470557

Natural Product ID:  NPC470557
Common Name:   Cornusalterin B
IUPAC Name:   (8R,9S,10R,13S,14R,17S)-17-[(E,2S)-6-methoxy-6-methylhept-4-en-2-yl]-4,4,10,13,14-pentamethyl-1,2,5,6,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
Synonyms:   Cornusalterin B
Molecular Formula:   C31H52O2
Standard InCHIKey:  VXRYSPWFQKBSPW-BDROBAENSA-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/h10,17,21-25H,11-16,18-20H2,1-9H3/b17-10+/t21-,22-,23-,24+,25?,29+,30-,31+/m0/s1
Canonical SMILES:  COC(/C=C/C[C@@H]([C@@H]1CC[C@]2([C@@]1(C)CC[C@H]1[C@H]2CCC2[C@]1(C)CCC(=O)C2(C)C)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 = 28790 nM 16933872
NPT147 Cell Line SK-MEL-2 Homo sapiens IC50 = 18040 nM 18183025
NPT574 Cell Line XF498 Homo sapiens IC50 = 28670 nM 22444684
NPT146 Cell Line SK-OV-3 Homo sapiens IC50 = 19220 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 NPC470557 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
0.9589 High Similarity NPC470052
0.8933 High Similarity NPC91665
0.8889 High Similarity NPC40574
0.875 High Similarity NPC137493
0.85 High Similarity NPC470047
0.85 High Similarity NPC470046
0.8493 Intermediate Similarity NPC182815
0.8421 Intermediate Similarity NPC255650
0.8378 Intermediate Similarity NPC477856
0.8378 Intermediate Similarity NPC214770
0.8356 Intermediate Similarity NPC20610
0.8333 Intermediate Similarity NPC323005
0.8272 Intermediate Similarity NPC474790
0.8272 Intermediate Similarity NPC474976
0.8267 Intermediate Similarity NPC470078
0.8267 Intermediate Similarity NPC234707
0.8267 Intermediate Similarity NPC115023
0.8267 Intermediate Similarity NPC305501
0.8228 Intermediate Similarity NPC190211
0.8193 Intermediate Similarity NPC470050
0.8193 Intermediate Similarity NPC470051
0.8182 Intermediate Similarity NPC293803
0.8158 Intermediate Similarity NPC251705
0.8158 Intermediate Similarity NPC474228
0.8158 Intermediate Similarity NPC303613
0.8133 Intermediate Similarity NPC35734
0.8133 Intermediate Similarity NPC282593
0.8133 Intermediate Similarity NPC159577
0.8133 Intermediate Similarity NPC307176
0.8125 Intermediate Similarity NPC474509
0.8118 Intermediate Similarity NPC285982
0.8101 Intermediate Similarity NPC82635
0.8101 Intermediate Similarity NPC105197
0.8077 Intermediate Similarity NPC69408
0.8072 Intermediate Similarity NPC470048
0.8052 Intermediate Similarity NPC309852
0.8026 Intermediate Similarity NPC54123
0.8 Intermediate Similarity NPC139397
0.8 Intermediate Similarity NPC215843
0.7978 Intermediate Similarity NPC160056
0.7949 Intermediate Similarity NPC65650
0.7922 Intermediate Similarity NPC470044
0.7922 Intermediate Similarity NPC470045
0.7907 Intermediate Similarity NPC474844
0.7895 Intermediate Similarity NPC251929
0.7895 Intermediate Similarity NPC2634
0.7895 Intermediate Similarity NPC265782
0.7895 Intermediate Similarity NPC260040
0.7882 Intermediate Similarity NPC163016
0.7882 Intermediate Similarity NPC75315
0.7838 Intermediate Similarity NPC96812
0.7838 Intermediate Similarity NPC43300
0.7838 Intermediate Similarity NPC189917
0.7838 Intermediate Similarity NPC107704
0.7838 Intermediate Similarity NPC168824
0.7838 Intermediate Similarity NPC39462
0.7821 Intermediate Similarity NPC474797
0.7821 Intermediate Similarity NPC474796
0.7821 Intermediate Similarity NPC329866
0.7821 Intermediate Similarity NPC255021
0.7821 Intermediate Similarity NPC20025
0.7808 Intermediate Similarity NPC469662
0.7805 Intermediate Similarity NPC4166
0.7763 Intermediate Similarity NPC477857
0.7763 Intermediate Similarity NPC286814
0.7738 Intermediate Similarity NPC178025
0.7738 Intermediate Similarity NPC181743
0.7738 Intermediate Similarity NPC16287
0.7722 Intermediate Similarity NPC473171
0.7711 Intermediate Similarity NPC100297
0.7711 Intermediate Similarity NPC311092
0.7711 Intermediate Similarity NPC472239
0.7701 Intermediate Similarity NPC2983
0.7692 Intermediate Similarity NPC151488
0.7674 Intermediate Similarity NPC476293
0.7674 Intermediate Similarity NPC128644
0.7671 Intermediate Similarity NPC197238
0.7671 Intermediate Similarity NPC202118
0.7654 Intermediate Similarity NPC469996
0.7647 Intermediate Similarity NPC471224
0.7647 Intermediate Similarity NPC60350
0.7632 Intermediate Similarity NPC39157
0.7632 Intermediate Similarity NPC82477
0.7632 Intermediate Similarity NPC296697
0.7632 Intermediate Similarity NPC142754
0.7625 Intermediate Similarity NPC469793
0.7625 Intermediate Similarity NPC469796
0.7625 Intermediate Similarity NPC474463
0.7619 Intermediate Similarity NPC41539
0.7614 Intermediate Similarity NPC320026
0.7614 Intermediate Similarity NPC76286
0.7595 Intermediate Similarity NPC159497
0.7564 Intermediate Similarity NPC225467
0.7564 Intermediate Similarity NPC190035
0.7561 Intermediate Similarity NPC170793
0.7561 Intermediate Similarity NPC90965
0.7558 Intermediate Similarity NPC472863
0.7534 Intermediate Similarity NPC60565
0.7528 Intermediate Similarity NPC475806
0.7528 Intermediate Similarity NPC190442
0.75 Intermediate Similarity NPC469805
0.75 Intermediate Similarity NPC268122
0.75 Intermediate Similarity NPC94200
0.75 Intermediate Similarity NPC469804
0.75 Intermediate Similarity NPC220210
0.75 Intermediate Similarity NPC20181
0.75 Intermediate Similarity NPC176107
0.75 Intermediate Similarity NPC142253
0.75 Intermediate Similarity NPC126815
0.75 Intermediate Similarity NPC3511
0.75 Intermediate Similarity NPC291634
0.75 Intermediate Similarity NPC472867
0.7473 Intermediate Similarity NPC33473
0.7473 Intermediate Similarity NPC84383
0.7471 Intermediate Similarity NPC93778
0.7468 Intermediate Similarity NPC474488
0.7444 Intermediate Similarity NPC229976
0.7442 Intermediate Similarity NPC470223
0.7442 Intermediate Similarity NPC269638
0.7442 Intermediate Similarity NPC474083
0.7442 Intermediate Similarity NPC472940
0.7442 Intermediate Similarity NPC472931
0.7439 Intermediate Similarity NPC63020
0.7412 Intermediate Similarity NPC279639
0.7412 Intermediate Similarity NPC118423
0.7412 Intermediate Similarity NPC3856
0.7412 Intermediate Similarity NPC470558
0.7407 Intermediate Similarity NPC198473
0.7403 Intermediate Similarity NPC188292
0.7403 Intermediate Similarity NPC260474
0.7391 Intermediate Similarity NPC78473
0.7391 Intermediate Similarity NPC322063
0.7386 Intermediate Similarity NPC193360
0.7381 Intermediate Similarity NPC147066
0.7368 Intermediate Similarity NPC92327
0.7363 Intermediate Similarity NPC8993
0.7356 Intermediate Similarity NPC469994
0.7356 Intermediate Similarity NPC264127
0.7342 Intermediate Similarity NPC181204
0.7342 Intermediate Similarity NPC5701
0.7342 Intermediate Similarity NPC223187
0.7333 Intermediate Similarity NPC23217
0.7326 Intermediate Similarity NPC85774
0.7326 Intermediate Similarity NPC221758
0.7326 Intermediate Similarity NPC87552
0.7326 Intermediate Similarity NPC82902
0.7326 Intermediate Similarity NPC214043
0.7326 Intermediate Similarity NPC59453
0.7324 Intermediate Similarity NPC151464
0.7324 Intermediate Similarity NPC143597
0.7312 Intermediate Similarity NPC57416
0.7312 Intermediate Similarity NPC107243
0.7308 Intermediate Similarity NPC256846
0.7308 Intermediate Similarity NPC469677
0.7303 Intermediate Similarity NPC469323
0.7303 Intermediate Similarity NPC473999
0.7303 Intermediate Similarity NPC177141
0.7303 Intermediate Similarity NPC309603
0.7303 Intermediate Similarity NPC262043
0.7294 Intermediate Similarity NPC145143
0.7294 Intermediate Similarity NPC469806
0.7294 Intermediate Similarity NPC240302
0.7294 Intermediate Similarity NPC193347
0.7294 Intermediate Similarity NPC327969
0.7294 Intermediate Similarity NPC320514
0.7294 Intermediate Similarity NPC321289
0.7294 Intermediate Similarity NPC469799
0.7283 Intermediate Similarity NPC171395
0.7273 Intermediate Similarity NPC58063
0.7273 Intermediate Similarity NPC136948
0.7273 Intermediate Similarity NPC317590
0.7273 Intermediate Similarity NPC477228
0.7273 Intermediate Similarity NPC90652
0.7263 Intermediate Similarity NPC310981
0.7262 Intermediate Similarity NPC267517
0.7262 Intermediate Similarity NPC469798
0.7262 Intermediate Similarity NPC469797
0.7262 Intermediate Similarity NPC472478
0.7253 Intermediate Similarity NPC474736
0.7253 Intermediate Similarity NPC472871
0.725 Intermediate Similarity NPC279241
0.7241 Intermediate Similarity NPC474218
0.7241 Intermediate Similarity NPC469948
0.7241 Intermediate Similarity NPC29447
0.7241 Intermediate Similarity NPC8571
0.7234 Intermediate Similarity NPC98868
0.7229 Intermediate Similarity NPC228911
0.7229 Intermediate Similarity NPC115515
0.7222 Intermediate Similarity NPC8062
0.7222 Intermediate Similarity NPC48010
0.7222 Intermediate Similarity NPC273199
0.7222 Intermediate Similarity NPC55004
0.7222 Intermediate Similarity NPC198818
0.7222 Intermediate Similarity NPC230823
0.7222 Intermediate Similarity NPC267626
0.7222 Intermediate Similarity NPC49575
0.7209 Intermediate Similarity NPC167103
0.7209 Intermediate Similarity NPC170862
0.7209 Intermediate Similarity NPC477852
0.7191 Intermediate Similarity NPC472220

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC470557 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
0.8133 Intermediate Similarity NPD4747 Approved
0.8 Intermediate Similarity NPD4137 Phase 3
0.7895 Intermediate Similarity NPD4691 Approved
0.7867 Intermediate Similarity NPD3621 Clinical (unspecified phase)
0.7821 Intermediate Similarity NPD4687 Approved
0.7821 Intermediate Similarity NPD5733 Approved
0.7821 Intermediate Similarity NPD4058 Approved
0.7564 Intermediate Similarity NPD5276 Approved
0.7356 Intermediate Similarity NPD6098 Approved
0.7333 Intermediate Similarity NPD5693 Phase 1
0.7326 Intermediate Similarity NPD4786 Approved
0.7294 Intermediate Similarity NPD4221 Approved
0.7294 Intermediate Similarity NPD4223 Phase 3
0.7241 Intermediate Similarity NPD5329 Approved
0.7191 Intermediate Similarity NPD5737 Approved
0.7191 Intermediate Similarity NPD6672 Approved
0.7191 Intermediate Similarity NPD7513 Clinical (unspecified phase)
0.7159 Intermediate Similarity NPD6684 Approved
0.7159 Intermediate Similarity NPD7521 Approved
0.7159 Intermediate Similarity NPD7334 Approved
0.7159 Intermediate Similarity NPD7146 Approved
0.7159 Intermediate Similarity NPD6409 Approved
0.7159 Intermediate Similarity NPD5330 Approved
0.7126 Intermediate Similarity NPD4197 Approved
0.7111 Intermediate Similarity NPD6904 Approved
0.7111 Intermediate Similarity NPD6080 Approved
0.7111 Intermediate Similarity NPD6673 Approved
0.7093 Intermediate Similarity NPD3667 Approved
0.7011 Intermediate Similarity NPD4788 Approved
0.7 Intermediate Similarity NPD5208 Approved
0.7 Intermediate Similarity NPD6903 Approved
0.6966 Remote Similarity NPD5205 Approved
0.6966 Remote Similarity NPD4688 Approved
0.6966 Remote Similarity NPD5690 Phase 2
0.6966 Remote Similarity NPD4623 Approved
0.6966 Remote Similarity NPD4138 Approved
0.6966 Remote Similarity NPD4693 Phase 3
0.6966 Remote Similarity NPD4519 Discontinued
0.6966 Remote Similarity NPD4689 Approved
0.6966 Remote Similarity NPD4690 Approved
0.6957 Remote Similarity NPD6079 Approved
0.6932 Remote Similarity NPD3665 Phase 1
0.6932 Remote Similarity NPD3133 Approved
0.6932 Remote Similarity NPD3668 Phase 3
0.6932 Remote Similarity NPD3666 Approved
0.6923 Remote Similarity NPD6051 Approved
0.6923 Remote Similarity NPD5328 Approved
0.6923 Remote Similarity NPD4753 Phase 2
0.6915 Remote Similarity NPD6356 Clinical (unspecified phase)
0.6897 Remote Similarity NPD4752 Clinical (unspecified phase)
0.6882 Remote Similarity NPD6399 Phase 3
0.6848 Remote Similarity NPD5207 Approved
0.6824 Remote Similarity NPD5784 Clinical (unspecified phase)
0.6818 Remote Similarity NPD3527 Clinical (unspecified phase)
0.6809 Remote Similarity NPD5769 Clinical (unspecified phase)
0.6778 Remote Similarity NPD5280 Approved
0.6778 Remote Similarity NPD4694 Approved
0.6778 Remote Similarity NPD3618 Phase 1
0.6774 Remote Similarity NPD6050 Approved
0.6774 Remote Similarity NPD5694 Approved
0.6771 Remote Similarity NPD6084 Phase 2
0.6771 Remote Similarity NPD6083 Phase 2
0.6744 Remote Similarity NPD4195 Approved
0.6737 Remote Similarity NPD4629 Approved
0.6737 Remote Similarity NPD5210 Approved
0.6702 Remote Similarity NPD4202 Approved
0.6701 Remote Similarity NPD7638 Approved
0.6667 Remote Similarity NPD5692 Phase 3
0.6633 Remote Similarity NPD7640 Approved
0.6633 Remote Similarity NPD7639 Approved
0.6632 Remote Similarity NPD6001 Approved
0.6628 Remote Similarity NPD3617 Approved
0.6596 Remote Similarity NPD5281 Approved
0.6596 Remote Similarity NPD5284 Approved
0.6593 Remote Similarity NPD5279 Phase 3
0.6593 Remote Similarity NPD3574 Clinical (unspecified phase)
0.6591 Remote Similarity NPD8028 Phase 2
0.6591 Remote Similarity NPD4692 Approved
0.6591 Remote Similarity NPD4139 Approved
0.6562 Remote Similarity NPD5695 Phase 3
0.6548 Remote Similarity NPD4784 Approved
0.6548 Remote Similarity NPD4785 Approved
0.6543 Remote Similarity NPD5360 Phase 3
0.6543 Remote Similarity NPD5361 Clinical (unspecified phase)
0.6531 Remote Similarity NPD5696 Approved
0.6522 Remote Similarity NPD3573 Approved
0.6506 Remote Similarity NPD4243 Approved
0.65 Remote Similarity NPD5211 Phase 2
0.6495 Remote Similarity NPD5222 Approved
0.6495 Remote Similarity NPD5221 Approved
0.6495 Remote Similarity NPD5220 Clinical (unspecified phase)
0.6484 Remote Similarity NPD1694 Approved
0.6484 Remote Similarity NPD7520 Clinical (unspecified phase)
0.6481 Remote Similarity NPD7115 Discovery
0.6477 Remote Similarity NPD7525 Registered
0.6471 Remote Similarity NPD8039 Approved
0.6465 Remote Similarity NPD5285 Approved
0.6465 Remote Similarity NPD4696 Approved
0.6465 Remote Similarity NPD5286 Approved
0.6429 Remote Similarity NPD4755 Approved
0.6429 Remote Similarity NPD5173 Approved
0.64 Remote Similarity NPD5223 Approved
0.6386 Remote Similarity NPD4789 Approved
0.6373 Remote Similarity NPD5141 Approved
0.6346 Remote Similarity NPD6881 Approved
0.6346 Remote Similarity NPD6899 Approved
0.6337 Remote Similarity NPD5224 Approved
0.6337 Remote Similarity NPD5226 Approved
0.6337 Remote Similarity NPD4633 Approved
0.6337 Remote Similarity NPD5225 Approved
0.6327 Remote Similarity NPD4697 Phase 3
0.6316 Remote Similarity NPD4096 Approved
0.6316 Remote Similarity NPD5785 Approved
0.6311 Remote Similarity NPD5739 Approved
0.6311 Remote Similarity NPD6402 Approved
0.6311 Remote Similarity NPD6675 Approved
0.6311 Remote Similarity NPD7128 Approved
0.631 Remote Similarity NPD4809 Clinical (unspecified phase)
0.631 Remote Similarity NPD4808 Clinical (unspecified phase)
0.631 Remote Similarity NPD5777 Approved
0.63 Remote Similarity NPD4700 Approved
0.6292 Remote Similarity NPD4695 Discontinued
0.6292 Remote Similarity NPD7514 Phase 3
0.6289 Remote Similarity NPD7900 Approved
0.6289 Remote Similarity NPD7901 Clinical (unspecified phase)
0.6289 Remote Similarity NPD7748 Approved
0.6279 Remote Similarity NPD6942 Approved
0.6279 Remote Similarity NPD7339 Approved
0.6277 Remote Similarity NPD4518 Approved
0.6275 Remote Similarity NPD6052 Approved
0.6275 Remote Similarity NPD5174 Approved
0.6275 Remote Similarity NPD5175 Approved
0.625 Remote Similarity NPD7515 Phase 2
0.625 Remote Similarity NPD6614 Approved
0.625 Remote Similarity NPD5697 Approved
0.625 Remote Similarity NPD7322 Clinical (unspecified phase)
0.625 Remote Similarity NPD8035 Phase 2
0.625 Remote Similarity NPD7637 Suspended
0.625 Remote Similarity NPD8034 Phase 2
0.625 Remote Similarity NPD5325 Clinical (unspecified phase)
0.6234 Remote Similarity NPD287 Approved
0.6226 Remote Similarity NPD6883 Approved
0.6226 Remote Similarity NPD7290 Approved
0.6226 Remote Similarity NPD7102 Approved
0.6224 Remote Similarity NPD5654 Approved
0.619 Remote Similarity NPD6011 Approved
0.619 Remote Similarity NPD7143 Approved
0.619 Remote Similarity NPD7320 Approved
0.619 Remote Similarity NPD7144 Approved
0.619 Remote Similarity NPD4244 Approved
0.619 Remote Similarity NPD4245 Approved
0.6186 Remote Similarity NPD5133 Approved
0.6176 Remote Similarity NPD5091 Approved
0.6173 Remote Similarity NPD3171 Clinical (unspecified phase)
0.6168 Remote Similarity NPD8130 Phase 1
0.6168 Remote Similarity NPD6650 Approved
0.6168 Remote Similarity NPD6617 Approved
0.6168 Remote Similarity NPD6649 Approved
0.6168 Remote Similarity NPD6869 Approved
0.6168 Remote Similarity NPD6847 Approved
0.6163 Remote Similarity NPD6926 Approved
0.6163 Remote Similarity NPD6924 Approved
0.6154 Remote Similarity NPD6008 Approved
0.6136 Remote Similarity NPD6932 Approved
0.6132 Remote Similarity NPD6014 Approved
0.6132 Remote Similarity NPD6012 Approved
0.6132 Remote Similarity NPD6013 Approved
0.6132 Remote Similarity NPD6372 Approved
0.6132 Remote Similarity NPD6373 Approved
0.6118 Remote Similarity NPD4758 Discontinued
0.6118 Remote Similarity NPD7151 Approved
0.6118 Remote Similarity NPD7150 Approved
0.6118 Remote Similarity NPD6081 Approved
0.6118 Remote Similarity NPD7152 Approved
0.6117 Remote Similarity NPD4754 Approved
0.6111 Remote Similarity NPD7332 Phase 2
0.6111 Remote Similarity NPD6882 Approved
0.6111 Remote Similarity NPD8297 Approved
0.61 Remote Similarity NPD7902 Approved
0.61 Remote Similarity NPD5959 Approved
0.6098 Remote Similarity NPD4224 Phase 2
0.6095 Remote Similarity NPD5701 Approved
0.6092 Remote Similarity NPD5275 Approved
0.6092 Remote Similarity NPD4190 Phase 3
0.6087 Remote Similarity NPD5362 Discontinued
0.6071 Remote Similarity NPD3700 Clinical (unspecified phase)
0.6071 Remote Similarity NPD3699 Clinical (unspecified phase)
0.6071 Remote Similarity NPD6923 Approved
0.6071 Remote Similarity NPD3698 Phase 2
0.6071 Remote Similarity NPD6922 Approved
0.6067 Remote Similarity NPD7145 Approved
0.6044 Remote Similarity NPD5369 Approved
0.6044 Remote Similarity NPD6902 Approved
0.6042 Remote Similarity NPD7285 Clinical (unspecified phase)
0.6038 Remote Similarity NPD4729 Approved
0.6038 Remote Similarity NPD4730 Approved
0.6023 Remote Similarity NPD3701 Clinical (unspecified phase)
0.6023 Remote Similarity NPD6933 Approved
0.6019 Remote Similarity NPD6401 Clinical (unspecified phase)
0.6019 Remote Similarity NPD7632 Discontinued

Structure

External Identifiers

PubChem CID   70688780
ChEMBL   CHEMBL2069125
ZINC  

Physicochemical Properties

Molecular Weight:  456.40
ALogP:  3.6835
MLogP:  4.65
XLogP:  10.471
# Rotatable Bonds:  14
Polar Surface Area:  26.3
# H-Bond Aceptor:  2
# H-Bond Donor:  0
# Rings:  4
# Heavy Atoms:  33

Download Data

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Structure MOL file  
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Biological Activities  
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