Summary

IMPPAT Phytochemical identifier: IMPHY009102

Phytochemical name: (8Bs,13as)-3,6,7-trimethoxy-8b,9,11,12,13,13a-hexahydrodibenzo[f,h]pyrrolo[1,2-b]isoquinolin-4-ol

Synonymous chemical names:
tyloindicine h

External chemical identifiers:
CID:373660, ChEMBL:CHEMBL1970992, ZINC:ZINC000005839269

---

Chemical structure information

SMILES:
COc1cc2-c3c(C4=C[C@H]5N(C[C@@H]4c2cc1OC)CCC5)ccc(c3O)OC

InChI:
InChI=1S/C23H25NO4/c1-26-19-7-6-14-15-9-13-5-4-8-24(13)12-18(15)16-10-20(27-2)21(28-3)11-17(16)22(14)23(19)25/h6-7,9-11,13,18,25H,4-5,8,12H2,1-3H3/t13-,18-/m0/s1

InChIKey:
KXSJHSREHJDQJT-UGSOOPFHSA-N

DeepSMILES:
COccc-ccC=C[C@H]NC[C@@H]6c%10cc%14OC)))))))CCC5)))))))cccc6O))OC

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

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=C2c3ccccc3-c3ccccc3C2CN2CCCC12

Scaffold Graph/Node level:
C1CCC2C(C1)C1CCCCC1C1CN3CCCC3CC21

Scaffold Graph level:
C1CC2CC3C4CCCCC4C4CCCCC4C3CC2C1

---

Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Benzenoids

ClassyFire Class: Phenanthrenes and derivatives

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Tyrosine alkaloids

NP Classifier Class: Isoquinoline alkaloids

NP-Likeness score: 0.877

---

Chemical structure download