Summary

IMPPAT Phytochemical identifier: IMPHY007121

Phytochemical name: Flindersine

Synonymous chemical names:
flindersine

External chemical identifiers:
CID:68230, ChEMBL:CHEMBL1507844, ChEBI:5094, ZINC:ZINC000008579393, FDASRS:6A8PD12CKP, SureChEMBL:SCHEMBL3125149, MolPort-001-936-789

---

Chemical structure information

SMILES:
O=c1[nH]c2ccccc2c2c1C=CC(O2)(C)C

InChI:
InChI=1S/C14H13NO2/c1-14(2)8-7-10-12(17-14)9-5-3-4-6-11(9)15-13(10)16/h3-8H,1-2H3,(H,15,16)

InChIKey:
PXNMNABLQWUMCX-UHFFFAOYSA-N

DeepSMILES:
O=c[nH]cccccc6cc%10C=CCO6)C)C

Functional groups:
c=O, cC=CC, cOC, c[nH]c

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=c1[nH]c2ccccc2c2c1C=CCO2

Scaffold Graph/Node level:
OC1NC2CCCCC2C2OCCCC12

Scaffold Graph level:
CC1CC2CCCCC2C2CCCCC12

---

Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Quinolines and derivatives

ClassyFire Subclass: Quinolones and derivatives

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Tryptophan alkaloids, Anthranilic acid alkaloids

NP Classifier Class: Quinoline alkaloids

NP-Likeness score: 1.743

---

Chemical structure download