Summary

IMPPAT Phytochemical identifier: IMPHY009103

Phytochemical name: (8Br,13ar)-2,3,6,7-tetramethoxy-8b,9,12,13-tetrahydrodibenzo[f,h]pyrrolo[1,2-b]isoquinolin-13a(11h)-ol

Synonymous chemical names:
tyloindicine g

External chemical identifiers:
CID:373659, ChEMBL:CHEMBL1984171, ZINC:ZINC000005839261, SureChEMBL:SCHEMBL8977404

---

Chemical structure information

SMILES:
COc1cc2[C@H]3CN4CCC[C@]4(C=C3c3c(-c2cc1OC)cc(c(c3)OC)OC)O

InChI:
InChI=1S/C24H27NO5/c1-27-20-8-14-15-9-21(28-2)23(30-4)11-17(15)19-13-25-7-5-6-24(25,26)12-18(19)16(14)10-22(20)29-3/h8-12,19,26H,5-7,13H2,1-4H3/t19-,24-/m1/s1

InChIKey:
KKOZIXJFGMEJCY-NTKDMRAZSA-N

DeepSMILES:
COccc[C@H]CNCCC[C@]5C=C9cc-c%13cc%17OC)))))cccc6)OC)))OC))))))))O

Functional groups:
cC1=C[C@@](C)(O)N(C)CC1, 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-Likeness score: 1.198

---

Chemical structure download