Summary

IMPPAT Phytochemical identifier: IMPHY004910

Phytochemical name: Hongguanggenin

Synonymous chemical names:
hongguanggenin

External chemical identifiers:
CID:52931465

---

Chemical structure information

SMILES:
CC[C@H]1[C@H](C[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C[C@@H]([C@@H]2[C@]1(C)CC[C@@H](C2)O)O)O[C@]1(C)OC[C@@H](CC1O)C

InChI:
InChI=1S/C28H48O5/c1-6-19-24(33-28(5)25(31)11-16(2)15-32-28)14-21-18-13-23(30)22-12-17(29)7-9-27(22,4)20(18)8-10-26(19,21)3/h16-25,29-31H,6-15H2,1-5H3/t16-,17+,18-,19+,20+,21+,22-,23+,24+,25?,26-,27-,28+/m1/s1

InChIKey:
VBBBEPSYZZJGLL-XIKZFJPTSA-N

DeepSMILES:
CC[C@H][C@H]C[C@@H][C@]5C)CC[C@H][C@H]6C[C@@H][C@@H][C@]6C)CC[C@@H]C6)O))))))O))))))))))O[C@]C)OC[C@@H]CC6O)))C

Functional groups:
CO, CO[C@@](C)(C)OC

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1CCC(OC2CC3CCC4C5CCCCC5CCC4C3C2)OC1

Scaffold Graph/Node level:
C1CCC(OC2CC3CCC4C5CCCCC5CCC4C3C2)OC1

Scaffold Graph level:
C1CCC(CC2CC3CCC4C5CCCCC5CCC4C3C2)CC1

---

Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Prenol lipids

ClassyFire Subclass: Triterpenoids

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Steroids

NP Classifier Class: Cholestane steroids

NP-Likeness score: 2.388

---

Chemical structure download