Summary

IMPPAT Phytochemical identifier: IMPHY008211

Phytochemical name: trans-Communic acid

Synonymous chemical names:
communic acid

External chemical identifiers:
CID:637125, ChEMBL:CHEMBL498097, ZINC:ZINC000032296560, SureChEMBL:SCHEMBL2406902, MolPort-029-887-059

---

Chemical structure information

SMILES:
C=C/C(=C/C[C@H]1C(=C)CC[C@@H]2[C@]1(C)CCC[C@]2(C)C(=O)O)/C

InChI:
InChI=1S/C20H30O2/c1-6-14(2)8-10-16-15(3)9-11-17-19(16,4)12-7-13-20(17,5)18(21)22/h6,8,16-17H,1,3,7,9-13H2,2,4-5H3,(H,21,22)/b14-8+/t16-,17+,19+,20-/m0/s1

InChIKey:
YGBZFOQXPOGACY-VWVSFFKRSA-N

DeepSMILES:
C=C/C=C/C[C@H]C=C)CC[C@@H][C@]6C)CCC[C@]6C)C=O)O))))))))))))))/C

Functional groups:
C=C(C)C, C=C/C(C)=C/C, CC(=O)O

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
C=C1CCC2CCCCC2C1

Scaffold Graph/Node level:
CC1CCC2CCCCC2C1

Scaffold Graph level:
CC1CCC2CCCCC2C1

---

Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Prenol lipids

ClassyFire Subclass: Diterpenoids

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Diterpenoids

NP Classifier Class: Labdane diterpenoids, Norlabdane diterpenoids

NP-Likeness score: 3.29

---

Chemical structure download