Summary

IMPPAT Phytochemical identifier: IMPHY008666

Phytochemical name: Gibberellin A87

Synonymous chemical names:
gibberellin ga87

External chemical identifiers:
CID:131752584, ChEBI:175645

---

Chemical structure information

SMILES:
OC(=O)C1C2C3(C4C51CC(=C)C(C5)(O)C(C4)O)C=CC(C2(C)C(=O)O3)O

InChI:
InChI=1S/C19H22O7/c1-8-6-17-7-18(8,25)11(21)5-9(17)19-4-3-10(20)16(2,15(24)26-19)13(19)12(17)14(22)23/h3-4,9-13,20-21,25H,1,5-7H2,2H3,(H,22,23)

InChIKey:
DBCALXGMWSCZIP-UHFFFAOYSA-N

DeepSMILES:
OC=O)CCCCC5CC=C)CC5)O)CC7)O)))))))C=CCC6C)C=O)O7)))O

Functional groups:
C=C(C)C, CC(=O)O, CC=CC, CO, COC(C)=O

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
C=C1CC23CC1CCC2C12C=CCC(C(=O)O1)C2C3

Scaffold Graph/Node level:
CC1CC23CC1CCC2C12CCCC(C(O)O1)C2C3

Scaffold Graph level:
CC1CC23CC1CCC2C12CCCC(C(C)C1)C2C3

---

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: Gibberellins

NP-Likeness score: 3.578

---

Chemical structure download