Summary

IMPPAT Phytochemical identifier: IMPHY013171

Phytochemical name: 2,5-Dimethoxy-9,10-dihydrophenanthrene-1,7-diol

Synonymous chemical names:
9,10-dihdyro-2,5-dimethoxyphenanthrene-1,7-diol, 9,10-dihydro-2,5-dimethoxyphenanthrene-1,7-diol

External chemical identifiers:
CID:14104268, ChEMBL:CHEMBL2418386, ZINC:ZINC000014650828, SureChEMBL:SCHEMBL12465709

---

Chemical structure information

SMILES:
COc1cc(O)cc2c1-c1ccc(c(c1CC2)O)OC

InChI:
InChI=1S/C16H16O4/c1-19-13-6-5-11-12(16(13)18)4-3-9-7-10(17)8-14(20-2)15(9)11/h5-8,17-18H,3-4H2,1-2H3

InChIKey:
YSSFIGREEVEYNI-UHFFFAOYSA-N

DeepSMILES:
COcccO)ccc6-cccccc6CC%10)))O))OC

Functional groups:
cO, cOC

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccc2c(c1)CCc1ccccc1-2

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: Hydrophenanthrenes

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Phenanthrenoids

NP Classifier Class: Phenanthrenes

NP-Likeness score: 1.67

---

Chemical structure download