Summary

IMPPAT Phytochemical identifier: IMPHY008157

Phytochemical name: (+/-)-Karachine

Synonymous chemical names:
karachine

External chemical identifiers:
CID:630739

---

Chemical structure information

SMILES:
COc1ccc2c(c1OC)C1CC3(C2C2(N1CCc1c2cc2OCOc2c1)CC(=O)C3)C

InChI:
InChI=1S/C26H27NO5/c1-25-10-15(28)11-26-17-9-21-20(31-13-32-21)8-14(17)6-7-27(26)18(12-25)22-16(24(25)26)4-5-19(29-2)23(22)30-3/h4-5,8-9,18,24H,6-7,10-13H2,1-3H3

InChIKey:
CFSSZVBJSHOACV-UHFFFAOYSA-N

DeepSMILES:
COcccccc6OC)))CCCC6CN6CCcc6ccOCOc5c9))))))))))))CC=O)C6)))))C

Functional groups:
CC(C)=O, CN(C)C, c1cOCO1, cOC

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1CC2CC3c4ccccc4C2C2(C1)c1cc4c(cc1CCN32)OCO4

Scaffold Graph/Node level:
OC1CC2CC3C4CCCCC4C2C2(C1)C1CC4OCOC4CC1CCN32

Scaffold Graph level:
CC1CC2CC3C4CCCCC4C2C2(C1)C1CC4CCCC4CC1CCC32

---

Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Alkaloids and derivatives

ClassyFire Class: Protoberberine alkaloids and derivatives

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Tyrosine alkaloids

NP Classifier Class: Isoquinoline alkaloids, Protoberberine alkaloids

NP-Likeness score: 1.149

---

Chemical structure download