Summary

IMPPAT Phytochemical identifier: IMPHY002840

Phytochemical name: Mupamine

Synonymous chemical names:
mupamine

External chemical identifiers:
CID:14282366

---

Chemical structure information

SMILES:
COc1cccc2c1[nH]c1c2cc(c2c1C=CC(O2)(C)C)C

InChI:
InChI=1S/C19H19NO2/c1-11-10-14-12-6-5-7-15(21-4)17(12)20-16(14)13-8-9-19(2,3)22-18(11)13/h5-10,20H,1-4H3

InChIKey:
QCPVEYRGEWSJPF-UHFFFAOYSA-N

DeepSMILES:
COcccccc6[nH]cc5cccc6C=CCO6)C)C))))))C

Functional groups:
cC=CC, cOC, c[nH]c

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=Cc2c(ccc3c2[nH]c2ccccc23)OC1

Scaffold Graph/Node level:
C1CCC2C(C1)NC1C3CCCOC3CCC21

Scaffold Graph level:
C1CCC2C(C1)CC1C3CCCCC3CCC21

---

Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Indoles and derivatives

ClassyFire Subclass: Carbazoles

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Tryptophan alkaloids

NP Classifier Class: Carbazole alkaloids

NP-Likeness score: 1.862

---

Chemical structure download