Summary

IMPPAT Phytochemical identifier: IMPHY011384

Phytochemical name: Anthecotuloide

Synonymous chemical names:
anthecotulide, anthecotuloide

External chemical identifiers:
CID:12050675, ZINC:ZINC000013366311

---

Chemical structure information

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

InChI:
InChI=1S/C15H20O3/c1-10(2)7-14(16)8-11(3)5-6-13-9-18-15(17)12(13)4/h5,7,13H,4,6,8-9H2,1-3H3/b11-5+/t13-/m1/s1

InChIKey:
WSKLYRKBPFVGEJ-HQIZRNBFSA-N

DeepSMILES:
C/C=CC[C@@H]COC=O)C5=C))))))))/CC=O)C=CC)C

Functional groups:
C/C=C(/C)C, C=C1CCOC1=O, CC(=O)C=C(C)C

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
C=C1CCOC1=O

Scaffold Graph/Node level:
CC1CCOC1O

Scaffold Graph level:
CC1CCCC1C

---

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: Secogermacrane sesquiterpenoids

NP-Likeness score: 2.807

---

Chemical structure download