Summary

IMPPAT Phytochemical identifier: IMPHY001603

Phytochemical name: (R)-2,4,6-Trimethyl-3-oxo-2,3-Dihydro-1H-indene-5-acetic acid

Synonymous chemical names:
pterosin e

External chemical identifiers:
CID:148588

---

Chemical structure information

SMILES:
OC(=O)Cc1c(C)cc2c(c1C)C(=O)[C@@H](C2)C

InChI:
InChI=1S/C14H16O3/c1-7-4-10-5-8(2)14(17)13(10)9(3)11(7)6-12(15)16/h4,8H,5-6H2,1-3H3,(H,15,16)/t8-/m1/s1

InChIKey:
UYEZJDNVWNIIKS-MRVPVSSYSA-N

DeepSMILES:
OC=O)CccC)cccc6C))C=O)[C@@H]C5)C

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

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1CCc2ccccc21

Scaffold Graph/Node level:
OC1CCC2CCCCC12

Scaffold Graph level:
CC1CCC2CCCCC12

---

Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Benzenoids

ClassyFire Class: Indanes

ClassyFire Subclass: Indanones

NP Classifier Biosynthetic pathway: Terpenoids

NP-Likeness score: 1.509

---

Chemical structure download