Natural Product: NPC26310

Natural Product ID:  NPC26310
Common Name:   (3Z)-Laurenyne
IUPAC Name:   (2S,3S,5Z,8S)-3-chloro-2-[(Z)-pent-2-en-4-ynyl]-8-[(E)-prop-1-enyl]-3,4,7,8-tetrahydro-2H-oxocine
Synonyms:   (3Z)-Laurenyne
Molecular Formula:   C15H19ClO
Standard InCHIKey:  RYCMNZMJYZRUAM-SNFZDAOBSA-N
Standard InCHI:  InChI=1S/C15H19ClO/c1-3-5-6-12-15-14(16)11-8-7-10-13(17-15)9-4-2/h1,4-9,13-15H,10-12H2,2H3/b6-5-,8-7-,9-4+/t13-,14+,15+/m1/s1
Canonical SMILES:  C/C=C/[C@@H]1CC=CC[C@@H]([C@@H](O1)C/C=CC#C)Cl
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
NPO33110 laurencia yonaguniensis Species Rhodomelaceae Eukaryota Okinawan PMID[11908989]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT176 Organism Artemia salina Artemia salina LC50 = 467000 nM 16124766

  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 NPC26310 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
0.7581 Intermediate Similarity NPC477424
0.7463 Intermediate Similarity NPC316572
0.7353 Intermediate Similarity NPC323677
0.7353 Intermediate Similarity NPC477423
0.7353 Intermediate Similarity NPC477429
0.7286 Intermediate Similarity NPC477422
0.7183 Intermediate Similarity NPC477421
0.7031 Intermediate Similarity NPC477430
0.6812 Remote Similarity NPC477431
0.6528 Remote Similarity NPC473306
0.6486 Remote Similarity NPC52781
0.6308 Remote Similarity NPC471277
0.6308 Remote Similarity NPC471279
0.625 Remote Similarity NPC474913
0.6133 Remote Similarity NPC77724
0.6119 Remote Similarity NPC474267
0.6119 Remote Similarity NPC222852
0.6061 Remote Similarity NPC265551
0.6061 Remote Similarity NPC212730
0.6032 Remote Similarity NPC106531
0.6032 Remote Similarity NPC142092
0.6029 Remote Similarity NPC471278
0.5968 Remote Similarity NPC474642
0.5968 Remote Similarity NPC473913
0.5968 Remote Similarity NPC249670
0.5882 Remote Similarity NPC478095
0.5882 Remote Similarity NPC159650
0.5882 Remote Similarity NPC22897
0.5873 Remote Similarity NPC59408
0.5873 Remote Similarity NPC151782
0.5873 Remote Similarity NPC71053
0.5862 Remote Similarity NPC304151
0.5846 Remote Similarity NPC269615
0.5821 Remote Similarity NPC474869
0.5821 Remote Similarity NPC44542
0.5806 Remote Similarity NPC471276
0.5806 Remote Similarity NPC248884
0.5806 Remote Similarity NPC471275
0.5806 Remote Similarity NPC471280
0.5806 Remote Similarity NPC31194
0.5806 Remote Similarity NPC125122
0.5806 Remote Similarity NPC153538
0.5806 Remote Similarity NPC85079
0.5797 Remote Similarity NPC26223
0.5783 Remote Similarity NPC30915
0.5753 Remote Similarity NPC225272
0.575 Remote Similarity NPC473947
0.5738 Remote Similarity NPC19834
0.5738 Remote Similarity NPC35141
0.5738 Remote Similarity NPC55063
0.5738 Remote Similarity NPC124183
0.5735 Remote Similarity NPC478096
0.5735 Remote Similarity NPC23418
0.5714 Remote Similarity NPC72699
0.5714 Remote Similarity NPC471281
0.5714 Remote Similarity NPC199286
0.5714 Remote Similarity NPC477727
0.5714 Remote Similarity NPC328784
0.5714 Remote Similarity NPC291437
0.5667 Remote Similarity NPC101616
0.5652 Remote Similarity NPC286189
0.5625 Remote Similarity NPC329608
0.5625 Remote Similarity NPC165447
0.5625 Remote Similarity NPC9273
0.5625 Remote Similarity NPC170776
0.5625 Remote Similarity NPC475477
0.5625 Remote Similarity NPC477723
0.5625 Remote Similarity NPC76198
0.5625 Remote Similarity NPC224148
0.5625 Remote Similarity NPC471959
0.5625 Remote Similarity NPC89824
0.5625 Remote Similarity NPC197272
0.5625 Remote Similarity NPC294278
0.5625 Remote Similarity NPC93639
0.5625 Remote Similarity NPC256656
0.5625 Remote Similarity NPC55383
0.5614 Remote Similarity NPC15934
0.5606 Remote Similarity NPC9611
0.5606 Remote Similarity NPC110732
0.5606 Remote Similarity NPC473532
0.5606 Remote Similarity NPC256209
0.5606 Remote Similarity NPC49059
0.5606 Remote Similarity NPC151923

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC26310 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
0.5735 Remote Similarity NPD585 Clinical (unspecified phase)

Structure

External Identifiers

PubChem CID   11779935
ChEMBL   CHEMBL462717
ZINC  

Physicochemical Properties

Molecular Weight:  250.11
ALogP:  3.8136
MLogP:  2.89
XLogP:  3.883
# Rotatable Bonds:  5
Polar Surface Area:  9.23
# H-Bond Aceptor:  1
# H-Bond Donor:  0
# Rings:  1
# Heavy Atoms:  17

Download Data

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Structure MOL file  
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Biological Activities  
Similar NPs/Drugs