Summary

IMPPAT Phytochemical identifier: IMPHY003183

Phytochemical name: Sylvatesmin

Synonymous chemical names:
+-phillygenin, phillygenin, sylvatesmin

External chemical identifiers:
CID:3083590, ChEMBL:CHEMBL2260010, ZINC:ZINC000005037520, FDASRS:886IAL08GN, SureChEMBL:SCHEMBL10052265, MolPort-001-741-029

---

Chemical structure information

SMILES:
COc1cc(ccc1OC)[C@@H]1OC[C@H]2[C@@H]1CO[C@@H]2c1ccc(c(c1)OC)O

InChI:
InChI=1S/C21H24O6/c1-23-17-7-5-13(9-19(17)25-3)21-15-11-26-20(14(15)10-27-21)12-4-6-16(22)18(8-12)24-2/h4-9,14-15,20-22H,10-11H2,1-3H3/t14-,15-,20+,21-/m0/s1

InChIKey:
CPJKKWDCUOOTEW-YJPXFSGGSA-N

DeepSMILES:
COcccccc6OC)))))[C@@H]OC[C@H][C@@H]5CO[C@@H]5cccccc6)OC)))O

Functional groups:
COC, cO, cOC

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccc(C2OCC3C(c4ccccc4)OCC23)cc1

Scaffold Graph/Node level:
C1CCC(C2OCC3C2COC3C2CCCCC2)CC1

Scaffold Graph level:
C1CCC(C2CCC3C(C4CCCCC4)CCC23)CC1

---

Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lignans, neolignans and related compounds

ClassyFire Class: Furanoid lignans

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Lignans

NP Classifier Class: Furofuranoid lignans

NP-Likeness score: 0.936

---

Chemical structure download