Summary

IMPPAT Phytochemical identifier: IMPHY013062

Phytochemical name: 2,6-Phenanthrenediol, 1,5,7-trimethoxy-

Synonymous chemical names:
1,5,7-trimethoxy-phenanthrene-2,6-diol, 1,5,7-trimethoxyphenanthrene-2,6-diol

External chemical identifiers:
CID:11779542, ChEMBL:CHEMBL469491, SureChEMBL:SCHEMBL5804721

---

Chemical structure information

SMILES:
COc1cc2ccc3c(c2c(c1O)OC)ccc(c3OC)O

InChI:
InChI=1S/C17H16O5/c1-20-13-8-9-4-5-11-10(6-7-12(18)16(11)21-2)14(9)17(22-3)15(13)19/h4-8,18-19H,1-3H3

InChIKey:
LLRLPRUFUGWYOL-UHFFFAOYSA-N

DeepSMILES:
COcccccccc6cc%10O))OC))))cccc6OC)))O

Functional groups:
cO, cOC

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccc2c(c1)ccc1ccccc12

Scaffold Graph/Node level:
C1CCC2C(C1)CCC1CCCCC12

Scaffold Graph level:
C1CCC2C(C1)CCC1CCCCC12

---

Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Benzenoids

ClassyFire Class: Phenanthrenes and derivatives

ClassyFire Subclass: Phenanthrols

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Phenanthrenoids

NP Classifier Class: Phenanthrenes

NP-Likeness score: 1.355

---

Chemical structure download