Summary

IMPPAT Phytochemical identifier: IMPHY005136

Phytochemical name: Erybidine

Synonymous chemical names:
erybidine

External chemical identifiers:
CID:169567

---

Chemical structure information

SMILES:
COc1cc2-c3cc(OC)c(cc3CCN(CCc2cc1OC)C)O

InChI:
InChI=1S/C20H25NO4/c1-21-7-5-13-9-17(22)18(23-2)11-15(13)16-12-20(25-4)19(24-3)10-14(16)6-8-21/h9-12,22H,5-8H2,1-4H3

InChIKey:
LWHZICJJSLUOJI-UHFFFAOYSA-N

DeepSMILES:
COccc-cccOC))ccc6CCNCCc%13cc%17OC)))))))C))))))O

Functional groups:
CN(C)C, cO, cOC

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccc2c(c1)CCNCCc1ccccc1-2

Scaffold Graph/Node level:
C1CCC2C(C1)CCNCCC1CCCCC12

Scaffold Graph level:
C1CCC2CCCCC2C2CCCCC2CC1

---

Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Benzenoids

ClassyFire Class: Phenol ethers

ClassyFire Subclass: Anisoles

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Tyrosine alkaloids

NP Classifier Class: Aporphine alkaloids, Isoquinoline alkaloids

NP-Likeness score: 0.41

---

Chemical structure download