Summary

IMPPAT Phytochemical identifier: IMPHY005344

Phytochemical name: Pisiferic acid

Synonymous chemical names:
pisiferic acid

External chemical identifiers:
CID:162209, ChEBI:70576, ZINC:ZINC000004097932, SureChEMBL:SCHEMBL1439596

---

Chemical structure information

SMILES:
OC(=O)[C@@]12CCCC([C@@H]2CCc2c1cc(O)c(c2)C(C)C)(C)C

InChI:
InChI=1S/C20H28O3/c1-12(2)14-10-13-6-7-17-19(3,4)8-5-9-20(17,18(22)23)15(13)11-16(14)21/h10-12,17,21H,5-9H2,1-4H3,(H,22,23)/t17-,20-/m0/s1

InChIKey:
ATHWSPHADLLZSS-PXNSSMCTSA-N

DeepSMILES:
OC=O)[C@]CCCC[C@@H]6CCcc%10ccO)cc6)CC)C))))))))))C)C

Functional groups:
CC(=O)O, cO

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccc2c(c1)CCC1CCCCC21

Scaffold Graph/Node level:
C1CCC2C(C1)CCC1CCCCC12

Scaffold Graph level:
C1CCC2C(C1)CCC1CCCCC12

---

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: Abietane diterpenoids

NP-Likeness score: 2.253

---

Chemical structure download