Summary

IMPPAT Phytochemical identifier: IMPHY001302

Phytochemical name: 2,4-Dimethoxyphenanthrene-3,5-diol

Synonymous chemical names:
bulbophyllanthrin

External chemical identifiers:
CID:44445443, ChEMBL:CHEMBL253981, ZINC:ZINC000014650835

---

Chemical structure information

SMILES:
COc1c(O)c(OC)cc2c1c1c(O)cccc1cc2

InChI:
InChI=1S/C16H14O4/c1-19-12-8-10-7-6-9-4-3-5-11(17)13(9)14(10)16(20-2)15(12)18/h3-8,17-18H,1-2H3

InChIKey:
ZRZLQDVGZXYWJD-UHFFFAOYSA-N

DeepSMILES:
COccO)cOC))ccc6ccO)cccc6cc%10

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: 1.192

---

Chemical structure download