Natural Product: NPC23748

Natural Product ID:  NPC23748
Common Name:   (R)-5,6-Dihydroxy-6-Methyl-2-((1S,3R,4R)-4-Methyl-3-(Prop-1-En-2-Yl)-4-Vinylcyclohexyl)Hept-2-Enyl Acetate
IUPAC Name:   [(Z,5R)-2-[(1S,3R,4R)-4-ethenyl-4-methyl-3-prop-1-en-2-ylcyclohexyl]-5,6-dihydroxy-6-methylhept-2-enyl] acetate
Synonyms:  
Molecular Formula:   C22H36O4
Standard InCHIKey:  MGQIOAOGJKBJTP-SXDJSCLZSA-N
Standard InCHI:  InChI=1S/C22H36O4/c1-8-22(7)12-11-17(13-19(22)15(2)3)18(14-26-16(4)23)9-10-20(24)21(5,6)25/h8-9,17,19-20,24-25H,1-2,10-14H2,3-7H3/b18-9+/t17-,19+,20+,22-/m0/s1
Canonical SMILES:  C=C[C@@]1(C)CC[C@@H](C[C@@H]1C(=C)C)/C(=C/C[C@H](C(O)(C)C)O)/COC(=O)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
NPO26994 Lobophytum pauciflorum Species Alcyoniidae Eukaryota Mindoro, Philippines PMID[9548875]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT985 Organism Cladosporium cucumerinum Cladosporium cucumerinum IZ = 5 mm PubChem BioAssay data set
NPT176 Organism Artemia salina Artemia salina LC50 = 59.02 ug/ml 11087618
NPT985 Organism Cladosporium cucumerinum Cladosporium cucumerinum IZ = 30 mm 23434131
NPT985 Organism Cladosporium cucumerinum Cladosporium cucumerinum IZ = 20 mm PubChem BioAssay data set
NPT985 Organism Cladosporium cucumerinum Cladosporium cucumerinum IZ = 10 mm 18198839

  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 NPC23748 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 NPC49208
0.8875 High Similarity NPC474592
0.8875 High Similarity NPC233332
0.8824 High Similarity NPC20946
0.875 High Similarity NPC233295
0.875 High Similarity NPC242767
0.859 High Similarity NPC104644
0.8588 High Similarity NPC245004
0.8588 High Similarity NPC131329
0.8571 High Similarity NPC471795
0.8571 High Similarity NPC35933
0.85 High Similarity NPC40049
0.8427 Intermediate Similarity NPC469491
0.8409 Intermediate Similarity NPC303697
0.8391 Intermediate Similarity NPC246028
0.8391 Intermediate Similarity NPC82876
0.8372 Intermediate Similarity NPC166857
0.8333 Intermediate Similarity NPC474809
0.8315 Intermediate Similarity NPC53555
0.8313 Intermediate Similarity NPC25554
0.8312 Intermediate Similarity NPC101622
0.8295 Intermediate Similarity NPC78973
0.8293 Intermediate Similarity NPC100906
0.8272 Intermediate Similarity NPC283619
0.8256 Intermediate Similarity NPC475069
0.8256 Intermediate Similarity NPC175145
0.8205 Intermediate Similarity NPC4299
0.8202 Intermediate Similarity NPC234335
0.8202 Intermediate Similarity NPC477574
0.8202 Intermediate Similarity NPC475972
0.8202 Intermediate Similarity NPC177641
0.8182 Intermediate Similarity NPC261320
0.8172 Intermediate Similarity NPC38855
0.8172 Intermediate Similarity NPC473510
0.8161 Intermediate Similarity NPC471796
0.8152 Intermediate Similarity NPC91197
0.8152 Intermediate Similarity NPC309503
0.8152 Intermediate Similarity NPC96597
0.8152 Intermediate Similarity NPC125551
0.8152 Intermediate Similarity NPC239547
0.8152 Intermediate Similarity NPC155319
0.8152 Intermediate Similarity NPC210337
0.814 Intermediate Similarity NPC11804
0.8132 Intermediate Similarity NPC276110
0.8118 Intermediate Similarity NPC311070
0.8118 Intermediate Similarity NPC476927
0.8118 Intermediate Similarity NPC42476
0.8095 Intermediate Similarity NPC474894
0.8095 Intermediate Similarity NPC229584
0.8095 Intermediate Similarity NPC14203
0.8095 Intermediate Similarity NPC142163
0.809 Intermediate Similarity NPC220216
0.8072 Intermediate Similarity NPC325869
0.8046 Intermediate Similarity NPC311163
0.8046 Intermediate Similarity NPC471219
0.8046 Intermediate Similarity NPC329692
0.8046 Intermediate Similarity NPC131813
0.8043 Intermediate Similarity NPC473153
0.8043 Intermediate Similarity NPC57664
0.8043 Intermediate Similarity NPC88009
0.8023 Intermediate Similarity NPC102048
0.8023 Intermediate Similarity NPC83702
0.8022 Intermediate Similarity NPC469697
0.8022 Intermediate Similarity NPC472360
0.8022 Intermediate Similarity NPC104925
0.8022 Intermediate Similarity NPC298973
0.8022 Intermediate Similarity NPC105490
0.8022 Intermediate Similarity NPC472416
0.8 Intermediate Similarity NPC2524
0.8 Intermediate Similarity NPC471218
0.8 Intermediate Similarity NPC124374
0.8 Intermediate Similarity NPC256112
0.8 Intermediate Similarity NPC471408
0.8 Intermediate Similarity NPC11956
0.7979 Intermediate Similarity NPC474190
0.7979 Intermediate Similarity NPC230546
0.7978 Intermediate Similarity NPC470734
0.7978 Intermediate Similarity NPC473647
0.7976 Intermediate Similarity NPC469802
0.7957 Intermediate Similarity NPC473244
0.7957 Intermediate Similarity NPC231751
0.7957 Intermediate Similarity NPC98112
0.7955 Intermediate Similarity NPC471779
0.7955 Intermediate Similarity NPC312561
0.7952 Intermediate Similarity NPC83351
0.7952 Intermediate Similarity NPC167891
0.7931 Intermediate Similarity NPC471494
0.7922 Intermediate Similarity NPC250977
0.7917 Intermediate Similarity NPC23584
0.7917 Intermediate Similarity NPC474775
0.7912 Intermediate Similarity NPC152778
0.7912 Intermediate Similarity NPC99653
0.7912 Intermediate Similarity NPC205034
0.7912 Intermediate Similarity NPC162615
0.7912 Intermediate Similarity NPC7349
0.7907 Intermediate Similarity NPC161045
0.7907 Intermediate Similarity NPC472377
0.7901 Intermediate Similarity NPC71152
0.7895 Intermediate Similarity NPC475617
0.7895 Intermediate Similarity NPC280991
0.7895 Intermediate Similarity NPC472554
0.7895 Intermediate Similarity NPC11974
0.7889 Intermediate Similarity NPC182136
0.7889 Intermediate Similarity NPC310479
0.7889 Intermediate Similarity NPC281942
0.7889 Intermediate Similarity NPC232426
0.7882 Intermediate Similarity NPC327002
0.7882 Intermediate Similarity NPC475944
0.7882 Intermediate Similarity NPC159148
0.7882 Intermediate Similarity NPC112868
0.7882 Intermediate Similarity NPC170303
0.7875 Intermediate Similarity NPC472254
0.7872 Intermediate Similarity NPC316598
0.7865 Intermediate Similarity NPC473879
0.7865 Intermediate Similarity NPC472378
0.7865 Intermediate Similarity NPC472810
0.7865 Intermediate Similarity NPC474629
0.7865 Intermediate Similarity NPC24816
0.7865 Intermediate Similarity NPC472809
0.7857 Intermediate Similarity NPC86971
0.7857 Intermediate Similarity NPC301666
0.7857 Intermediate Similarity NPC471537
0.7849 Intermediate Similarity NPC162346
0.7849 Intermediate Similarity NPC16967
0.7849 Intermediate Similarity NPC284194
0.7849 Intermediate Similarity NPC211810
0.7849 Intermediate Similarity NPC471765
0.7849 Intermediate Similarity NPC221801
0.7849 Intermediate Similarity NPC129569
0.7841 Intermediate Similarity NPC474970
0.7841 Intermediate Similarity NPC324063
0.7831 Intermediate Similarity NPC476439
0.7831 Intermediate Similarity NPC84360
0.7826 Intermediate Similarity NPC470255
0.7826 Intermediate Similarity NPC472467
0.7816 Intermediate Similarity NPC471302
0.7816 Intermediate Similarity NPC474776
0.7816 Intermediate Similarity NPC471301
0.7816 Intermediate Similarity NPC306951
0.7816 Intermediate Similarity NPC78673
0.7816 Intermediate Similarity NPC160517
0.7816 Intermediate Similarity NPC186155
0.7812 Intermediate Similarity NPC273668
0.7812 Intermediate Similarity NPC472552
0.7805 Intermediate Similarity NPC113639
0.7802 Intermediate Similarity NPC472811
0.7802 Intermediate Similarity NPC72845
0.7802 Intermediate Similarity NPC141831
0.7802 Intermediate Similarity NPC329842
0.7791 Intermediate Similarity NPC155521
0.7791 Intermediate Similarity NPC471159
0.7791 Intermediate Similarity NPC103171
0.7791 Intermediate Similarity NPC123880
0.7789 Intermediate Similarity NPC227865
0.7778 Intermediate Similarity NPC50488
0.7778 Intermediate Similarity NPC177141
0.7778 Intermediate Similarity NPC477085
0.7778 Intermediate Similarity NPC474396
0.7778 Intermediate Similarity NPC5509
0.7778 Intermediate Similarity NPC174342
0.7778 Intermediate Similarity NPC16265
0.7766 Intermediate Similarity NPC285513
0.7766 Intermediate Similarity NPC205143
0.7766 Intermediate Similarity NPC73911
0.7766 Intermediate Similarity NPC254496
0.7765 Intermediate Similarity NPC281880
0.7755 Intermediate Similarity NPC475414
0.7755 Intermediate Similarity NPC173172
0.7753 Intermediate Similarity NPC473891
0.7753 Intermediate Similarity NPC149224
0.7753 Intermediate Similarity NPC474765
0.7753 Intermediate Similarity NPC128644
0.7753 Intermediate Similarity NPC476948
0.775 Intermediate Similarity NPC34834
0.7742 Intermediate Similarity NPC476720
0.7742 Intermediate Similarity NPC275310
0.7742 Intermediate Similarity NPC472441
0.7742 Intermediate Similarity NPC286612
0.7742 Intermediate Similarity NPC230347
0.7742 Intermediate Similarity NPC37603
0.7742 Intermediate Similarity NPC471786
0.7742 Intermediate Similarity NPC53565
0.7738 Intermediate Similarity NPC474005
0.7738 Intermediate Similarity NPC184737
0.7738 Intermediate Similarity NPC321514
0.7738 Intermediate Similarity NPC209135
0.7738 Intermediate Similarity NPC474816
0.7732 Intermediate Similarity NPC474124
0.7732 Intermediate Similarity NPC297617
0.7727 Intermediate Similarity NPC474013
0.7727 Intermediate Similarity NPC472442
0.7727 Intermediate Similarity NPC473251
0.7727 Intermediate Similarity NPC109528
0.7727 Intermediate Similarity NPC164424
0.7727 Intermediate Similarity NPC30984
0.7727 Intermediate Similarity NPC42586
0.7727 Intermediate Similarity NPC476602
0.7727 Intermediate Similarity NPC329738
0.7727 Intermediate Similarity NPC274448
0.7727 Intermediate Similarity NPC157257

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC23748 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
0.7684 Intermediate Similarity NPD4225 Approved
0.7582 Intermediate Similarity NPD6051 Approved
0.7526 Intermediate Similarity NPD5344 Discontinued
0.75 Intermediate Similarity NPD7638 Approved
0.7423 Intermediate Similarity NPD7639 Approved
0.7423 Intermediate Similarity NPD7640 Approved
0.7312 Intermediate Similarity NPD7838 Discovery
0.7294 Intermediate Similarity NPD6933 Approved
0.7234 Intermediate Similarity NPD7637 Suspended
0.7222 Intermediate Similarity NPD6400 Clinical (unspecified phase)
0.7196 Intermediate Similarity NPD7115 Discovery
0.7191 Intermediate Similarity NPD4752 Clinical (unspecified phase)
0.7174 Intermediate Similarity NPD7524 Approved
0.7158 Intermediate Similarity NPD6399 Phase 3
0.7128 Intermediate Similarity NPD46 Approved
0.7128 Intermediate Similarity NPD6698 Approved
0.7113 Intermediate Similarity NPD4792 Clinical (unspecified phase)
0.7111 Intermediate Similarity NPD6695 Phase 3
0.7087 Intermediate Similarity NPD6686 Approved
0.7071 Intermediate Similarity NPD6648 Approved
0.7059 Intermediate Similarity NPD6924 Approved
0.7059 Intermediate Similarity NPD6926 Approved
0.7053 Intermediate Similarity NPD6411 Approved
0.7033 Intermediate Similarity NPD7338 Clinical (unspecified phase)
0.7 Intermediate Similarity NPD5325 Clinical (unspecified phase)
0.6979 Remote Similarity NPD5779 Approved
0.6979 Remote Similarity NPD5778 Approved
0.6977 Remote Similarity NPD7339 Approved
0.6977 Remote Similarity NPD6942 Approved
0.6977 Remote Similarity NPD8039 Approved
0.6977 Remote Similarity NPD8264 Approved
0.6966 Remote Similarity NPD5790 Clinical (unspecified phase)
0.6966 Remote Similarity NPD4822 Approved
0.6966 Remote Similarity NPD4821 Approved
0.6966 Remote Similarity NPD7525 Registered
0.6966 Remote Similarity NPD4820 Approved
0.6966 Remote Similarity NPD4819 Approved
0.6957 Remote Similarity NPD6082 Clinical (unspecified phase)
0.6947 Remote Similarity NPD5785 Approved
0.6932 Remote Similarity NPD7322 Clinical (unspecified phase)
0.6932 Remote Similarity NPD5784 Clinical (unspecified phase)
0.6923 Remote Similarity NPD5362 Discontinued
0.6923 Remote Similarity NPD7154 Phase 3
0.6914 Remote Similarity NPD2685 Clinical (unspecified phase)
0.6907 Remote Similarity NPD7748 Approved
0.6897 Remote Similarity NPD3701 Clinical (unspecified phase)
0.6875 Remote Similarity NPD7515 Phase 2
0.6869 Remote Similarity NPD6083 Phase 2
0.6869 Remote Similarity NPD6084 Phase 2
0.6854 Remote Similarity NPD7645 Phase 2
0.6848 Remote Similarity NPD4786 Approved
0.6842 Remote Similarity NPD6101 Approved
0.6842 Remote Similarity NPD5764 Clinical (unspecified phase)
0.6818 Remote Similarity NPD7327 Approved
0.6818 Remote Similarity NPD7328 Approved
0.6813 Remote Similarity NPD3667 Approved
0.6809 Remote Similarity NPD7750 Discontinued
0.68 Remote Similarity NPD8029 Clinical (unspecified phase)
0.6786 Remote Similarity NPD7503 Approved
0.6786 Remote Similarity NPD8033 Approved
0.6778 Remote Similarity NPD6931 Approved
0.6778 Remote Similarity NPD6930 Phase 2
0.6778 Remote Similarity NPD7514 Phase 3
0.6778 Remote Similarity NPD7332 Phase 2
0.6774 Remote Similarity NPD1694 Approved
0.6765 Remote Similarity NPD7632 Discontinued
0.6757 Remote Similarity NPD7516 Approved
0.6742 Remote Similarity NPD4271 Approved
0.6742 Remote Similarity NPD4268 Approved
0.6739 Remote Similarity NPD5332 Approved
0.6739 Remote Similarity NPD5331 Approved
0.6706 Remote Similarity NPD7144 Approved
0.6706 Remote Similarity NPD7143 Approved
0.6703 Remote Similarity NPD4790 Discontinued
0.6703 Remote Similarity NPD5369 Approved
0.6702 Remote Similarity NPD7521 Approved
0.6702 Remote Similarity NPD7146 Approved
0.6702 Remote Similarity NPD6684 Approved
0.6702 Remote Similarity NPD7334 Approved
0.6702 Remote Similarity NPD6409 Approved
0.6702 Remote Similarity NPD5330 Approved
0.6701 Remote Similarity NPD7983 Approved
0.67 Remote Similarity NPD7902 Approved
0.6698 Remote Similarity NPD4061 Clinical (unspecified phase)
0.6696 Remote Similarity NPD8377 Approved
0.6696 Remote Similarity NPD8294 Approved
0.6667 Remote Similarity NPD4785 Approved
0.6667 Remote Similarity NPD5695 Phase 3
0.6667 Remote Similarity NPD4784 Approved
0.6667 Remote Similarity NPD1698 Clinical (unspecified phase)
0.6667 Remote Similarity NPD6929 Approved
0.6637 Remote Similarity NPD8380 Approved
0.6637 Remote Similarity NPD8335 Approved
0.6637 Remote Similarity NPD8379 Approved
0.6637 Remote Similarity NPD8378 Approved
0.6637 Remote Similarity NPD8296 Approved
0.6636 Remote Similarity NPD6371 Approved
0.6632 Remote Similarity NPD4751 Clinical (unspecified phase)
0.663 Remote Similarity NPD4269 Approved
0.663 Remote Similarity NPD4270 Approved
0.6629 Remote Similarity NPD6932 Approved
0.6628 Remote Similarity NPD7152 Approved
0.6628 Remote Similarity NPD7151 Approved
0.6628 Remote Similarity NPD7150 Approved
0.6604 Remote Similarity NPD5345 Clinical (unspecified phase)
0.6604 Remote Similarity NPD6881 Approved
0.6604 Remote Similarity NPD6899 Approved
0.6593 Remote Similarity NPD7509 Discontinued
0.6588 Remote Similarity NPD6922 Approved
0.6588 Remote Similarity NPD6923 Approved
0.6571 Remote Similarity NPD7128 Approved
0.6571 Remote Similarity NPD6675 Approved
0.6571 Remote Similarity NPD5739 Approved
0.6571 Remote Similarity NPD6402 Approved
0.6562 Remote Similarity NPD6903 Approved
0.6562 Remote Similarity NPD6672 Approved
0.6562 Remote Similarity NPD5737 Approved
0.6562 Remote Similarity NPD7513 Clinical (unspecified phase)
0.6556 Remote Similarity NPD7145 Approved
0.6543 Remote Similarity NPD368 Approved
0.6531 Remote Similarity NPD7087 Discontinued
0.6531 Remote Similarity NPD5693 Phase 1
0.6526 Remote Similarity NPD5786 Approved
0.6522 Remote Similarity NPD6902 Approved
0.6514 Remote Similarity NPD6053 Discontinued
0.6514 Remote Similarity NPD8297 Approved
0.6509 Remote Similarity NPD5697 Approved
0.6489 Remote Similarity NPD3133 Approved
0.6489 Remote Similarity NPD3665 Phase 1
0.6489 Remote Similarity NPD3666 Approved
0.6484 Remote Similarity NPD4195 Approved
0.6481 Remote Similarity NPD7102 Approved
0.6481 Remote Similarity NPD7290 Approved
0.6481 Remote Similarity NPD6883 Approved
0.6471 Remote Similarity NPD5696 Approved
0.6458 Remote Similarity NPD4251 Approved
0.6458 Remote Similarity NPD4250 Approved
0.6452 Remote Similarity NPD5209 Approved
0.6452 Remote Similarity NPD6435 Approved
0.6449 Remote Similarity NPD7320 Approved
0.6449 Remote Similarity NPD6011 Approved
0.6444 Remote Similarity NPD5776 Phase 2
0.6444 Remote Similarity NPD6925 Approved
0.6437 Remote Similarity NPD4243 Approved
0.6422 Remote Similarity NPD8413 Clinical (unspecified phase)
0.6422 Remote Similarity NPD8130 Phase 1
0.6422 Remote Similarity NPD6650 Approved
0.6422 Remote Similarity NPD6649 Approved
0.6422 Remote Similarity NPD6847 Approved
0.6422 Remote Similarity NPD6617 Approved
0.6422 Remote Similarity NPD6869 Approved
0.6421 Remote Similarity NPD5363 Approved
0.6421 Remote Similarity NPD7520 Clinical (unspecified phase)
0.6421 Remote Similarity NPD6893 Approved
0.6413 Remote Similarity NPD4252 Approved
0.641 Remote Similarity NPD7507 Approved
0.64 Remote Similarity NPD7901 Clinical (unspecified phase)
0.64 Remote Similarity NPD7900 Approved
0.6389 Remote Similarity NPD6373 Approved
0.6389 Remote Similarity NPD6013 Approved
0.6389 Remote Similarity NPD6372 Approved
0.6389 Remote Similarity NPD6012 Approved
0.6389 Remote Similarity NPD6014 Approved
0.6364 Remote Similarity NPD8034 Phase 2
0.6364 Remote Similarity NPD6882 Approved
0.6364 Remote Similarity NPD8035 Phase 2
0.6364 Remote Similarity NPD5284 Approved
0.6364 Remote Similarity NPD6079 Approved
0.6364 Remote Similarity NPD5281 Approved
0.6355 Remote Similarity NPD7899 Clinical (unspecified phase)
0.6355 Remote Similarity NPD6412 Phase 2
0.6355 Remote Similarity NPD5701 Approved
0.6354 Remote Similarity NPD4623 Approved
0.6354 Remote Similarity NPD3618 Phase 1
0.6354 Remote Similarity NPD6098 Approved
0.6354 Remote Similarity NPD4249 Approved
0.6354 Remote Similarity NPD4519 Discontinued
0.6346 Remote Similarity NPD4159 Approved
0.6344 Remote Similarity NPD6898 Phase 1
0.633 Remote Similarity NPD5955 Clinical (unspecified phase)
0.6327 Remote Similarity NPD4753 Phase 2
0.6327 Remote Similarity NPD6080 Approved
0.6327 Remote Similarity NPD6673 Approved
0.6327 Remote Similarity NPD6904 Approved
0.6327 Remote Similarity NPD7285 Clinical (unspecified phase)
0.6327 Remote Similarity NPD5328 Approved
0.6316 Remote Similarity NPD3668 Phase 3
0.6306 Remote Similarity NPD8133 Approved
0.6306 Remote Similarity NPD4632 Approved
0.6304 Remote Similarity NPD6683 Phase 2
0.6289 Remote Similarity NPD3573 Approved
0.6283 Remote Similarity NPD4198 Discontinued
0.6275 Remote Similarity NPD7839 Suspended
0.6273 Remote Similarity NPD6401 Clinical (unspecified phase)
0.6262 Remote Similarity NPD6640 Phase 3
0.625 Remote Similarity NPD7319 Approved
0.6237 Remote Similarity NPD4695 Discontinued
0.6237 Remote Similarity NPD5368 Approved
0.6237 Remote Similarity NPD4748 Discontinued
0.6203 Remote Similarity NPD342 Phase 1

Structure

External Identifiers

PubChem CID   15726502
ChEMBL   CHEMBL470342
ZINC  

Physicochemical Properties

Molecular Weight:  364.26
ALogP:  2.1583
MLogP:  3.44
XLogP:  4.569
# Rotatable Bonds:  16
Polar Surface Area:  66.76
# H-Bond Aceptor:  4
# H-Bond Donor:  2
# Rings:  1
# Heavy Atoms:  26

Download Data

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Biological Activities  
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