Summary

IMPPAT Phytochemical identifier: IMPHY006682

Phytochemical name: Strictic acid

Synonymous chemical names:
strictic acid

External chemical identifiers:
CID:5469447, ChEMBL:CHEMBL1973570, ZINC:ZINC000005839393

---

Chemical structure information

SMILES:
C=C1CC[C@@H](C)[C@@](C)(C/C=CC=C/1C(=O)O)CCc1cocc1

InChI:
InChI=1S/C20H26O3/c1-15-7-8-16(2)20(3,12-9-17-10-13-23-14-17)11-5-4-6-18(15)19(21)22/h4-6,10,13-14,16H,1,7-9,11-12H2,2-3H3,(H,21,22)/b5-4-,18-6+/t16-,20+/m1/s1

InChIKey:
PHJADXZUQNOLEH-VEUUUYJLSA-N

DeepSMILES:
C=CCC[C@@H]C)[C@@]C)C/C=CC=C/%10C=O)O)))))))CCccocc5

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

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
C=C1C=CC=CCC(CCc2ccoc2)CCC1

Scaffold Graph/Node level:
CC1CCCCCC(CCC2CCOC2)CCC1

Scaffold Graph level:
CC1CCCCCC(CCC2CCCC2)CCC1

---

Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Heteroaromatic compounds

NP Classifier Biosynthetic pathway: Polyketides

NP Classifier Superclass: Aromatic polyketides

NP Classifier Class: Depsidones

NP-Likeness score: 1.916

---

Chemical structure download