Summary

IMPPAT Phytochemical identifier: IMPHY006077

Phytochemical name: Dehydrocostus lactone

Synonymous chemical names:
costus lactone, dehydro, dehydrocostus lactone, dehydrocostuslactone

External chemical identifiers:
CID:73174, ChEMBL:CHEMBL88985, ChEBI:244418, ZINC:ZINC000000898477, FDASRS:71TRF5K040, SureChEMBL:SCHEMBL699070, MolPort-006-822-624

---

Chemical structure information

SMILES:
C=C1C(=O)O[C@H]2[C@H]1CCC(=C)[C@H]1[C@@H]2C(=C)CC1

InChI:
InChI=1S/C15H18O2/c1-8-4-7-12-10(3)15(16)17-14(12)13-9(2)5-6-11(8)13/h11-14H,1-7H2/t11-,12-,13-,14-/m0/s1

InChIKey:
NETSQGRTUNRXEO-XUXIUFHCSA-N

DeepSMILES:
C=CC=O)O[C@H][C@H]5CCC=C)[C@H][C@@H]7C=C)CC5

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

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
C=C1C(=O)OC2C1CCC(=C)C1CCC(=C)C12

Scaffold Graph/Node level:
CC1CCC2C(C)C(O)OC2C2C(C)CCC12

Scaffold Graph level:
CC1CC2C(CCC(C)C3CCC(C)C32)C1C

---

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: Guaiane sesquiterpenoids

NP-Likeness score: 2.999

---

Chemical structure download