Summary

IMPPAT Phytochemical identifier: IMPHY005567

Phytochemical name: Arborinine

Synonymous chemical names:
2,3-dimethoxy-1-hydroxy-10-methylacridone(arborinine), arborinine

External chemical identifiers:
CID:5281832, ChEMBL:CHEMBL349609, ChEBI:2804, ZINC:ZINC000005783606, FDASRS:16XG8UE639, SureChEMBL:SCHEMBL1663913, MolPort-005-981-218

---

Chemical structure information

SMILES:
COc1cc2c(c(c1OC)O)c(=O)c1c(n2C)cccc1

InChI:
InChI=1S/C16H15NO4/c1-17-10-7-5-4-6-9(10)14(18)13-11(17)8-12(20-2)16(21-3)15(13)19/h4-8,19H,1-3H3

InChIKey:
ATBZZQPALSPNMF-UHFFFAOYSA-N

DeepSMILES:
COcccccc6OC)))O))c=O)ccn6C))cccc6

Functional groups:
c=O, cO, cOC, cn(c)C

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=c1c2ccccc2[nH]c2ccccc12

Scaffold Graph/Node level:
OC1C2CCCCC2NC2CCCCC21

Scaffold Graph level:
CC1C2CCCCC2CC2CCCCC21

---

Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Quinolines and derivatives

ClassyFire Subclass: Benzoquinolines

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Anthranilic acid alkaloids

NP Classifier Class: Acridone alkaloids

NP-Likeness score: 0.71

---

Chemical structure download