Summary

IMPPAT Phytochemical identifier: IMPHY010154

Phytochemical name: Erythrabyssin II

Synonymous chemical names:
erythrabyssin ii

External chemical identifiers:
CID:10408212, ChEMBL:CHEMBL455372, ZINC:ZINC000002570158, MolPort-005-945-697

---

Chemical structure information

SMILES:
CC(=CCc1cc2c(cc1O)OC[C@@H]1[C@H]2Oc2c1ccc(c2CC=C(C)C)O)C

InChI:
InChI=1S/C25H28O4/c1-14(2)5-7-16-11-19-23(12-22(16)27)28-13-20-17-9-10-21(26)18(8-6-15(3)4)24(17)29-25(19)20/h5-6,9-12,20,25-27H,7-8,13H2,1-4H3/t20-,25-/m0/s1

InChIKey:
LDKAMVCGTURXMH-CPJSRVTESA-N

DeepSMILES:
CC=CCcccccc6O)))OC[C@@H][C@H]6Occ5cccc6CC=CC)C)))))O)))))))))))))))))C

Functional groups:
CC=C(C)C, cO, cOC

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccc2c(c1)OC1c3ccccc3OCC21

Scaffold Graph/Node level:
C1CCC2C(C1)OC1C3CCCCC3OCC21

Scaffold Graph level:
C1CCC2C(C1)CC1C3CCCCC3CCC21

---

Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Phenylpropanoids and polyketides

ClassyFire Class: Isoflavonoids

ClassyFire Subclass: Furanoisoflavonoids

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Isoflavonoids

NP Classifier Class: Pterocarpan

NP-Likeness score: 2.42

---

Chemical structure download