Summary

IMPPAT Phytochemical identifier: IMPHY001311

Phytochemical name: Gibberellin A6

Synonymous chemical names:
gibberellin a6

External chemical identifiers:
CID:443449

---

Chemical structure information

SMILES:
OC(=O)[C@H]1[C@H]2[C@]3([C@H]4[C@]51CC(=C)[C@](C5)(O)CC4)C[C@H]1[C@@H](C2(C)C(=O)O3)O1

InChI:
InChI=1S/C19H22O6/c1-8-5-17-7-18(8,23)4-3-10(17)19-6-9-13(24-9)16(2,15(22)25-19)12(19)11(17)14(20)21/h9-13,23H,1,3-7H2,2H3,(H,20,21)/t9-,10+,11+,12+,13-,16?,17-,18-,19+/m0/s1

InChIKey:
XNBWKKYPKJHUKD-JXHFLFEZSA-N

DeepSMILES:
OC=O)[C@H][C@H][C@][C@H][C@@]5CC=C)[C@]C5)O)CC7)))))))C[C@H][C@@H]C6C)C=O)O7)))O3

Functional groups:
C=C(C)C, CC(=O)O, CC(=O)OC, CO, C[C@@H]1O[C@@H]1C

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
C=C1CC23CC1CCC2C12CC4OC4C(C(=O)O1)C2C3

Scaffold Graph/Node level:
CC1CC23CC1CCC2C12CC4OC4C(C(O)O1)C2C3

Scaffold Graph level:
CC1CC23CC1CCC2C12CC(C)C(C4CC4C1)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: 3.688

---

Chemical structure download