Summary

IMPPAT Phytochemical identifier: IMPHY005201

Phytochemical name: Artemidinol

Synonymous chemical names:
artemidinol

External chemical identifiers:
CID:23264915, ChEMBL:CHEMBL471176, ChEBI:174091

---

Chemical structure information

SMILES:
CC/C=C/c1oc(=O)c2c(c1)c(O)ccc2

InChI:
InChI=1S/C13H12O3/c1-2-3-5-9-8-11-10(13(15)16-9)6-4-7-12(11)14/h3-8,14H,2H2,1H3/b5-3+

InChIKey:
QBZHMYUXUVZDQT-HWKANZROSA-N

DeepSMILES:
CC/C=C/coc=O)ccc6)cO)ccc6

Functional groups:
c/C=C/C, c=O, cO, coc

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=c1occc2ccccc12

Scaffold Graph/Node level:
OC1OCCC2CCCCC21

Scaffold Graph level:
CC1CCCC2CCCCC12

---

Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Phenylpropanoids and polyketides

ClassyFire Class: Isocoumarins and derivatives

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Coumarins

NP Classifier Class: Isocoumarins

NP-Likeness score: 1.248

---

Chemical structure download