Summary

IMPPAT Phytochemical identifier: IMPHY008758

Phytochemical name: Rishitinone

Synonymous chemical names:
rishitinone

External chemical identifiers:
CID:21717951, ChEBI:173711, ZINC:ZINC000014450801, FDASRS:1C1B54357D

---

Chemical structure information

SMILES:
O[C@H]1C[C@@H](C)[C@]2([C@H](C1)C(=O)C[C@H](C2)C(=C)C)C

InChI:
InChI=1S/C15H24O2/c1-9(2)11-6-14(17)13-7-12(16)5-10(3)15(13,4)8-11/h10-13,16H,1,5-8H2,2-4H3/t10-,11-,12+,13-,15+/m1/s1

InChIKey:
MZPGODIAQREELD-VVSAWPALSA-N

DeepSMILES:
O[C@H]C[C@@H]C)[C@][C@H]C6)C=O)C[C@H]C6)C=C)C))))))C

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

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1CCCC2CCCCC12

Scaffold Graph/Node level:
OC1CCCC2CCCCC12

Scaffold Graph level:
CC1CCCC2CCCCC12

---

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: Eremophilane sesquiterpenoids

NP-Likeness score: 3.013

---

Chemical structure download