Summary

IMPPAT Phytochemical identifier: IMPHY007410

Phytochemical name: Dihydroinunolide

Synonymous chemical names:
dihydroinunolide

External chemical identifiers:
CID:90470395

---

Chemical structure information

SMILES:
C/C/1=C/CC/C(=CC[C@H]2[C@@H](C1)OC(=O)[C@H]2C)/C

InChI:
InChI=1S/C15H22O2/c1-10-5-4-6-11(2)9-14-13(8-7-10)12(3)15(16)17-14/h6-7,12-14H,4-5,8-9H2,1-3H3/b10-7-,11-6-/t12-,13+,14+/m0/s1

InChIKey:
QJRFOUJEGHRZIU-SEUKEUAPSA-N

DeepSMILES:
C/C=C/CC/C=CC[C@H][C@@H]C%10)OC=O)[C@H]5C))))))))/C

Functional groups:
C/C=C(C)C, CC(=O)OC

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1CC2CC=CCCC=CCC2O1

Scaffold Graph/Node level:
OC1CC2CCCCCCCCC2O1

Scaffold Graph level:
CC1CC2CCCCCCCCC2C1

---

Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Prenol lipids

ClassyFire Subclass: Terpene lactones

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Sesquiterpenoids

NP Classifier Class: Germacrane sesquiterpenoids

NP-Likeness score: 2.853

---

Chemical structure download