Natural Product: NPC69408

Natural Product ID:  NPC69408
Common Name:   n.a.
IUPAC Name:  
Synonyms:  
Molecular Formula:   C30H44O2
Standard InCHIKey:  AZZAVZSMRIUOIL-GBZKQWGVSA-N
Standard InCHI:  InChI=1S/C30H44O2/c1-19(2)16-21(31)17-20(3)22-10-12-28(7)24-9-8-23-26(4,5)25(32)11-13-29(23)18-30(24,29)15-14-27(22,28)6/h11,13,16,20,22-24H,8-10,12,14-15,17-18H2,1-7H3/t20-,22-,23+,24+,27-,28+,29-,30+/m1/s1
Canonical SMILES:  CC(=CC(=O)C[C@H]([C@H]1CC[C@@]2([C@]1(C)CC[C@@]13[C@H]2CC[C@@H]2[C@]3(C1)C=CC(=O)C2(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
NPO27181 Kleinhovia hospita Species Malvaceae Eukaryota PMID[19489592]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT65 Cell Line HepG2 Homo sapiens EC50 = 109100 nM 26900659

  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 NPC69408 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
0.9714 High Similarity NPC255021
0.9577 High Similarity NPC255650
0.9571 High Similarity NPC251705
0.9571 High Similarity NPC303613
0.9571 High Similarity NPC474228
0.9437 High Similarity NPC309852
0.9429 High Similarity NPC54123
0.9429 High Similarity NPC115023
0.9429 High Similarity NPC234707
0.9429 High Similarity NPC305501
0.9306 High Similarity NPC293803
0.9296 High Similarity NPC470044
0.9296 High Similarity NPC470045
0.9286 High Similarity NPC35734
0.9286 High Similarity NPC159577
0.9286 High Similarity NPC2634
0.9286 High Similarity NPC251929
0.9286 High Similarity NPC282593
0.9286 High Similarity NPC265782
0.9286 High Similarity NPC307176
0.9155 High Similarity NPC5701
0.9143 High Similarity NPC139397
0.9143 High Similarity NPC182815
0.9014 High Similarity NPC260040
0.9014 High Similarity NPC214770
0.9014 High Similarity NPC477856
0.9 High Similarity NPC20610
0.8947 High Similarity NPC474509
0.8904 High Similarity NPC474797
0.8904 High Similarity NPC474796
0.8904 High Similarity NPC329866
0.8889 High Similarity NPC470078
0.8873 High Similarity NPC477857
0.8857 High Similarity NPC176107
0.8784 High Similarity NPC473171
0.875 High Similarity NPC40574
0.8732 High Similarity NPC188292
0.8732 High Similarity NPC260474
0.8714 High Similarity NPC92327
0.8714 High Similarity NPC323005
0.8611 High Similarity NPC256846
0.8571 High Similarity NPC170793
0.8571 High Similarity NPC90965
0.85 High Similarity NPC178025
0.85 High Similarity NPC16287
0.85 High Similarity NPC181743
0.8481 Intermediate Similarity NPC472239
0.8472 Intermediate Similarity NPC87141
0.8451 Intermediate Similarity NPC168824
0.8451 Intermediate Similarity NPC96812
0.8451 Intermediate Similarity NPC39462
0.8451 Intermediate Similarity NPC189917
0.8451 Intermediate Similarity NPC107704
0.8442 Intermediate Similarity NPC470052
0.8442 Intermediate Similarity NPC82635
0.8429 Intermediate Similarity NPC212210
0.8429 Intermediate Similarity NPC285371
0.8429 Intermediate Similarity NPC469662
0.8421 Intermediate Similarity NPC469793
0.8421 Intermediate Similarity NPC469796
0.8421 Intermediate Similarity NPC474463
0.8415 Intermediate Similarity NPC476293
0.8395 Intermediate Similarity NPC29447
0.8395 Intermediate Similarity NPC60350
0.8378 Intermediate Similarity NPC190035
0.8378 Intermediate Similarity NPC223187
0.8378 Intermediate Similarity NPC225467
0.8378 Intermediate Similarity NPC181204
0.8312 Intermediate Similarity NPC91665
0.831 Intermediate Similarity NPC251118
0.8286 Intermediate Similarity NPC202118
0.8286 Intermediate Similarity NPC197238
0.8286 Intermediate Similarity NPC165695
0.825 Intermediate Similarity NPC472867
0.825 Intermediate Similarity NPC320514
0.825 Intermediate Similarity NPC142253
0.825 Intermediate Similarity NPC3511
0.825 Intermediate Similarity NPC100297
0.8219 Intermediate Similarity NPC310992
0.8205 Intermediate Similarity NPC469996
0.8194 Intermediate Similarity NPC176171
0.8193 Intermediate Similarity NPC93778
0.8143 Intermediate Similarity NPC213152
0.8133 Intermediate Similarity NPC304983
0.8108 Intermediate Similarity NPC286814
0.8101 Intermediate Similarity NPC190211
0.8082 Intermediate Similarity NPC475523
0.8077 Intermediate Similarity NPC470557
0.8049 Intermediate Similarity NPC214043
0.8049 Intermediate Similarity NPC87552
0.8049 Intermediate Similarity NPC85774
0.8028 Intermediate Similarity NPC288253
0.8025 Intermediate Similarity NPC469805
0.8025 Intermediate Similarity NPC469804
0.8025 Intermediate Similarity NPC193347
0.8 Intermediate Similarity NPC246722
0.8 Intermediate Similarity NPC472478
0.8 Intermediate Similarity NPC25853
0.8 Intermediate Similarity NPC151045
0.8 Intermediate Similarity NPC262043
0.8 Intermediate Similarity NPC127582
0.7976 Intermediate Similarity NPC58063
0.7975 Intermediate Similarity NPC115515
0.7975 Intermediate Similarity NPC105197
0.7975 Intermediate Similarity NPC228911
0.7973 Intermediate Similarity NPC155198
0.7973 Intermediate Similarity NPC39157
0.7973 Intermediate Similarity NPC82477
0.7973 Intermediate Similarity NPC142754
0.7973 Intermediate Similarity NPC296697
0.7952 Intermediate Similarity NPC8571
0.7952 Intermediate Similarity NPC469948
0.7949 Intermediate Similarity NPC1254
0.7945 Intermediate Similarity NPC43300
0.7927 Intermediate Similarity NPC279639
0.7927 Intermediate Similarity NPC3856
0.7927 Intermediate Similarity NPC474976
0.7927 Intermediate Similarity NPC41539
0.7927 Intermediate Similarity NPC474790
0.7922 Intermediate Similarity NPC211641
0.7922 Intermediate Similarity NPC128346
0.7922 Intermediate Similarity NPC219232
0.7922 Intermediate Similarity NPC159497
0.7917 Intermediate Similarity NPC475124
0.7901 Intermediate Similarity NPC147066
0.7901 Intermediate Similarity NPC477372
0.7887 Intermediate Similarity NPC60565
0.7875 Intermediate Similarity NPC215843
0.7857 Intermediate Similarity NPC31564
0.7857 Intermediate Similarity NPC118648
0.7857 Intermediate Similarity NPC474778
0.7857 Intermediate Similarity NPC259261
0.7857 Intermediate Similarity NPC474733
0.7857 Intermediate Similarity NPC276764
0.7857 Intermediate Similarity NPC222613
0.7857 Intermediate Similarity NPC145879
0.7857 Intermediate Similarity NPC475022
0.7857 Intermediate Similarity NPC474732
0.7857 Intermediate Similarity NPC472304
0.7838 Intermediate Similarity NPC20181
0.7838 Intermediate Similarity NPC220210
0.7831 Intermediate Similarity NPC144258
0.7831 Intermediate Similarity NPC473246
0.7831 Intermediate Similarity NPC237712
0.7821 Intermediate Similarity NPC476346
0.7816 Intermediate Similarity NPC272746
0.7816 Intermediate Similarity NPC23217
0.7816 Intermediate Similarity NPC218301
0.7808 Intermediate Similarity NPC470329
0.7805 Intermediate Similarity NPC327969
0.7805 Intermediate Similarity NPC469806
0.7805 Intermediate Similarity NPC469799
0.7805 Intermediate Similarity NPC321289
0.7792 Intermediate Similarity NPC474488
0.7778 Intermediate Similarity NPC469798
0.7778 Intermediate Similarity NPC469797
0.7778 Intermediate Similarity NPC32285
0.7778 Intermediate Similarity NPC472306
0.7778 Intermediate Similarity NPC476809
0.7765 Intermediate Similarity NPC75315
0.7765 Intermediate Similarity NPC475740
0.7765 Intermediate Similarity NPC136948
0.7765 Intermediate Similarity NPC163016
0.7765 Intermediate Similarity NPC236618
0.7738 Intermediate Similarity NPC11711
0.7738 Intermediate Similarity NPC472931
0.7738 Intermediate Similarity NPC472940
0.7727 Intermediate Similarity NPC474807
0.7727 Intermediate Similarity NPC474736
0.7714 Intermediate Similarity NPC27610
0.7714 Intermediate Similarity NPC30215
0.7714 Intermediate Similarity NPC60772
0.7714 Intermediate Similarity NPC56905
0.7714 Intermediate Similarity NPC266295
0.7714 Intermediate Similarity NPC94991
0.7714 Intermediate Similarity NPC311852
0.7711 Intermediate Similarity NPC168188
0.7711 Intermediate Similarity NPC470047
0.7711 Intermediate Similarity NPC470046
0.7711 Intermediate Similarity NPC470015
0.7683 Intermediate Similarity NPC201912
0.7683 Intermediate Similarity NPC278459
0.7683 Intermediate Similarity NPC4166
0.7683 Intermediate Similarity NPC38350
0.7674 Intermediate Similarity NPC117122
0.7671 Intermediate Similarity NPC473902
0.7662 Intermediate Similarity NPC474562
0.7654 Intermediate Similarity NPC477371
0.7654 Intermediate Similarity NPC158846
0.7654 Intermediate Similarity NPC472490
0.7654 Intermediate Similarity NPC476177
0.7647 Intermediate Similarity NPC195640
0.7647 Intermediate Similarity NPC186975
0.764 Intermediate Similarity NPC294266
0.7639 Intermediate Similarity NPC475795
0.7625 Intermediate Similarity NPC472300
0.7619 Intermediate Similarity NPC472265
0.7619 Intermediate Similarity NPC33913
0.7619 Intermediate Similarity NPC227064
0.7619 Intermediate Similarity NPC161423

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC69408 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
0.9286 High Similarity NPD4747 Approved
0.9286 High Similarity NPD4691 Approved
0.9167 High Similarity NPD4058 Approved
0.9143 High Similarity NPD4137 Phase 3
0.8904 High Similarity NPD4687 Approved
0.8904 High Similarity NPD5733 Approved
0.863 High Similarity NPD5276 Approved
0.8472 Intermediate Similarity NPD3621 Clinical (unspecified phase)
0.8025 Intermediate Similarity NPD4221 Approved
0.8025 Intermediate Similarity NPD4223 Phase 3
0.7952 Intermediate Similarity NPD5329 Approved
0.7927 Intermediate Similarity NPD3527 Clinical (unspecified phase)
0.7857 Intermediate Similarity NPD5690 Phase 2
0.7831 Intermediate Similarity NPD4197 Approved
0.7816 Intermediate Similarity NPD6079 Approved
0.7674 Intermediate Similarity NPD6672 Approved
0.7674 Intermediate Similarity NPD5737 Approved
0.7654 Intermediate Similarity NPD4195 Approved
0.7647 Intermediate Similarity NPD4689 Approved
0.7647 Intermediate Similarity NPD5330 Approved
0.7647 Intermediate Similarity NPD4690 Approved
0.7647 Intermediate Similarity NPD4693 Phase 3
0.7647 Intermediate Similarity NPD4138 Approved
0.7647 Intermediate Similarity NPD4688 Approved
0.7647 Intermediate Similarity NPD6684 Approved
0.7647 Intermediate Similarity NPD7146 Approved
0.7647 Intermediate Similarity NPD7334 Approved
0.7647 Intermediate Similarity NPD7521 Approved
0.7647 Intermediate Similarity NPD5205 Approved
0.7647 Intermediate Similarity NPD6409 Approved
0.7619 Intermediate Similarity NPD3665 Phase 1
0.7619 Intermediate Similarity NPD4786 Approved
0.7619 Intermediate Similarity NPD3133 Approved
0.7619 Intermediate Similarity NPD3666 Approved
0.7586 Intermediate Similarity NPD6080 Approved
0.7586 Intermediate Similarity NPD6673 Approved
0.7586 Intermediate Similarity NPD5328 Approved
0.7586 Intermediate Similarity NPD6904 Approved
0.7556 Intermediate Similarity NPD6356 Clinical (unspecified phase)
0.7531 Intermediate Similarity NPD3617 Approved
0.7471 Intermediate Similarity NPD5208 Approved
0.7471 Intermediate Similarity NPD6903 Approved
0.7471 Intermediate Similarity NPD7513 Clinical (unspecified phase)
0.747 Intermediate Similarity NPD8028 Phase 2
0.7444 Intermediate Similarity NPD6001 Approved
0.7442 Intermediate Similarity NPD3618 Phase 1
0.7442 Intermediate Similarity NPD6098 Approved
0.7442 Intermediate Similarity NPD3574 Clinical (unspecified phase)
0.7442 Intermediate Similarity NPD4694 Approved
0.7442 Intermediate Similarity NPD5280 Approved
0.7386 Intermediate Similarity NPD4753 Phase 2
0.7381 Intermediate Similarity NPD3667 Approved
0.7363 Intermediate Similarity NPD4629 Approved
0.7363 Intermediate Similarity NPD5210 Approved
0.7349 Intermediate Similarity NPD4695 Discontinued
0.7303 Intermediate Similarity NPD5207 Approved
0.7283 Intermediate Similarity NPD5220 Clinical (unspecified phase)
0.7283 Intermediate Similarity NPD5221 Approved
0.7283 Intermediate Similarity NPD5222 Approved
0.7241 Intermediate Similarity NPD4519 Discontinued
0.7241 Intermediate Similarity NPD4623 Approved
0.7241 Intermediate Similarity NPD5279 Phase 3
0.7222 Intermediate Similarity NPD5281 Approved
0.7222 Intermediate Similarity NPD5694 Approved
0.7222 Intermediate Similarity NPD6050 Approved
0.7222 Intermediate Similarity NPD287 Approved
0.7222 Intermediate Similarity NPD5284 Approved
0.7222 Intermediate Similarity NPD5693 Phase 1
0.7209 Intermediate Similarity NPD3668 Phase 3
0.7204 Intermediate Similarity NPD5173 Approved
0.7159 Intermediate Similarity NPD3573 Approved
0.7143 Intermediate Similarity NPD4202 Approved
0.7143 Intermediate Similarity NPD5133 Approved
0.7111 Intermediate Similarity NPD5692 Phase 3
0.7093 Intermediate Similarity NPD4788 Approved
0.7053 Intermediate Similarity NPD5286 Approved
0.7053 Intermediate Similarity NPD5285 Approved
0.7053 Intermediate Similarity NPD4696 Approved
0.7021 Intermediate Similarity NPD6084 Phase 2
0.7021 Intermediate Similarity NPD6083 Phase 2
0.6979 Remote Similarity NPD5223 Approved
0.6957 Remote Similarity NPD6399 Phase 3
0.6923 Remote Similarity NPD4096 Approved
0.6915 Remote Similarity NPD4697 Phase 3
0.6907 Remote Similarity NPD5225 Approved
0.6907 Remote Similarity NPD5211 Phase 2
0.6907 Remote Similarity NPD5224 Approved
0.6907 Remote Similarity NPD5226 Approved
0.6907 Remote Similarity NPD5091 Approved
0.6907 Remote Similarity NPD4633 Approved
0.6889 Remote Similarity NPD4518 Approved
0.686 Remote Similarity NPD4139 Approved
0.686 Remote Similarity NPD4692 Approved
0.6842 Remote Similarity NPD5959 Approved
0.6842 Remote Similarity NPD4755 Approved
0.6837 Remote Similarity NPD5175 Approved
0.6837 Remote Similarity NPD5174 Approved
0.6829 Remote Similarity NPD4784 Approved
0.6829 Remote Similarity NPD4785 Approved
0.6809 Remote Similarity NPD5695 Phase 3
0.68 Remote Similarity NPD6614 Approved
0.679 Remote Similarity NPD4243 Approved
0.6771 Remote Similarity NPD5696 Approved
0.6768 Remote Similarity NPD5141 Approved
0.6733 Remote Similarity NPD6881 Approved
0.6733 Remote Similarity NPD6899 Approved
0.6701 Remote Similarity NPD4700 Approved
0.6667 Remote Similarity NPD7515 Phase 2
0.6667 Remote Similarity NPD6052 Approved
0.6634 Remote Similarity NPD5697 Approved
0.6632 Remote Similarity NPD5654 Approved
0.663 Remote Similarity NPD7285 Clinical (unspecified phase)
0.6602 Remote Similarity NPD7290 Approved
0.6602 Remote Similarity NPD7102 Approved
0.6602 Remote Similarity NPD6883 Approved
0.6591 Remote Similarity NPD4752 Clinical (unspecified phase)
0.6569 Remote Similarity NPD6011 Approved
0.6569 Remote Similarity NPD5168 Approved
0.6569 Remote Similarity NPD4729 Approved
0.6569 Remote Similarity NPD4730 Approved
0.6548 Remote Similarity NPD6942 Approved
0.6548 Remote Similarity NPD7339 Approved
0.6538 Remote Similarity NPD6617 Approved
0.6538 Remote Similarity NPD8130 Phase 1
0.6538 Remote Similarity NPD6650 Approved
0.6538 Remote Similarity NPD6847 Approved
0.6538 Remote Similarity NPD6649 Approved
0.6538 Remote Similarity NPD6869 Approved
0.6535 Remote Similarity NPD6402 Approved
0.6535 Remote Similarity NPD6008 Approved
0.6535 Remote Similarity NPD5739 Approved
0.6535 Remote Similarity NPD7128 Approved
0.6535 Remote Similarity NPD6675 Approved
0.6531 Remote Similarity NPD6404 Discontinued
0.6526 Remote Similarity NPD7901 Clinical (unspecified phase)
0.6526 Remote Similarity NPD5769 Clinical (unspecified phase)
0.6526 Remote Similarity NPD7900 Approved
0.6526 Remote Similarity NPD7748 Approved
0.6505 Remote Similarity NPD6013 Approved
0.6505 Remote Similarity NPD6014 Approved
0.6505 Remote Similarity NPD6012 Approved
0.65 Remote Similarity NPD4754 Approved
0.6495 Remote Similarity NPD3495 Discontinued
0.6476 Remote Similarity NPD8297 Approved
0.6476 Remote Similarity NPD6882 Approved
0.6442 Remote Similarity NPD5250 Approved
0.6442 Remote Similarity NPD5248 Approved
0.6442 Remote Similarity NPD5134 Clinical (unspecified phase)
0.6442 Remote Similarity NPD4634 Approved
0.6442 Remote Similarity NPD5249 Phase 3
0.6442 Remote Similarity NPD5251 Approved
0.6442 Remote Similarity NPD5247 Approved
0.6442 Remote Similarity NPD5135 Approved
0.6442 Remote Similarity NPD5169 Approved
0.6408 Remote Similarity NPD5128 Approved
0.6408 Remote Similarity NPD7320 Approved
0.6392 Remote Similarity NPD7614 Phase 1
0.6392 Remote Similarity NPD7732 Phase 3
0.6389 Remote Similarity NPD7115 Discovery
0.6381 Remote Similarity NPD5215 Approved
0.6381 Remote Similarity NPD5127 Approved
0.6381 Remote Similarity NPD5217 Approved
0.6381 Remote Similarity NPD5216 Approved
0.6375 Remote Similarity NPD7331 Phase 2
0.6374 Remote Similarity NPD7520 Clinical (unspecified phase)
0.6374 Remote Similarity NPD1694 Approved
0.6373 Remote Similarity NPD4768 Approved
0.6373 Remote Similarity NPD4767 Approved
0.6353 Remote Similarity NPD4190 Phase 3
0.6353 Remote Similarity NPD5275 Approved
0.6346 Remote Similarity NPD6372 Approved
0.6346 Remote Similarity NPD6373 Approved
0.6327 Remote Similarity NPD7902 Approved
0.6322 Remote Similarity NPD5784 Clinical (unspecified phase)
0.6311 Remote Similarity NPD6412 Phase 2
0.6311 Remote Similarity NPD5701 Approved
0.6296 Remote Similarity NPD6868 Approved
0.6279 Remote Similarity NPD3701 Clinical (unspecified phase)
0.6265 Remote Similarity NPD6939 Phase 2
0.6265 Remote Similarity NPD7144 Approved
0.6265 Remote Similarity NPD6938 Clinical (unspecified phase)
0.6265 Remote Similarity NPD7143 Approved
0.6262 Remote Similarity NPD4632 Approved
0.625 Remote Similarity NPD7631 Approved
0.6226 Remote Similarity NPD6401 Clinical (unspecified phase)
0.622 Remote Similarity NPD5360 Phase 3
0.622 Remote Similarity NPD5361 Clinical (unspecified phase)
0.6204 Remote Similarity NPD5167 Approved
0.6195 Remote Similarity NPD7604 Phase 2
0.619 Remote Similarity NPD7152 Approved
0.619 Remote Similarity NPD7151 Approved
0.619 Remote Similarity NPD7150 Approved
0.6182 Remote Similarity NPD6335 Approved
0.618 Remote Similarity NPD8259 Clinical (unspecified phase)
0.618 Remote Similarity NPD7525 Registered
0.6146 Remote Similarity NPD7609 Phase 3
0.6145 Remote Similarity NPD6923 Approved
0.6145 Remote Similarity NPD6922 Approved
0.6126 Remote Similarity NPD7100 Approved
0.6126 Remote Similarity NPD7101 Approved

Structure

External Identifiers

PubChem CID   44178849
ChEMBL   CHEMBL563371
ZINC  

Physicochemical Properties

Molecular Weight:  436.33
ALogP:  3.2843
MLogP:  4.54
XLogP:  8.91
# 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  
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