Summary

IMPPAT Phytochemical identifier: IMPHY006052

Phytochemical name: Yingzhaosu B

Synonymous chemical names:
yingzhaosu b

External chemical identifiers:
CID:72710725, FDASRS:WUO4X7137X

---

Chemical structure information

SMILES:
O[C@@H]([C@@H](C(O)(C)C)O)/C=C(/[C@H]1CCC(=CC1)C)C

InChI:
InChI=1S/C15H26O3/c1-10-5-7-12(8-6-10)11(2)9-13(16)14(17)15(3,4)18/h5,9,12-14,16-18H,6-8H2,1-4H3/b11-9+/t12-,13-,14+/m1/s1

InChIKey:
AKKKUKIATLHYKF-VVWFOINXSA-N

DeepSMILES:
O[C@@H][C@@H]CO)C)C))O))/C=C/[C@H]CCC=CC6))C)))))C

Functional groups:
C/C(C)=CC, CC=C(C)C, CO

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=CCCCC1

Scaffold Graph/Node level:
C1CCCCC1

Scaffold Graph level:
C1CCCCC1

---

Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Prenol lipids

ClassyFire Subclass: Sesquiterpenoids

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Sesquiterpenoids

NP Classifier Class: Arteminisin

NP-Likeness score: 2.396

---

Chemical structure download