Summary

IMPPAT Phytochemical identifier: IMPHY008520

Phytochemical name: Mauritine H

Synonymous chemical names:
mauritine h

External chemical identifiers:
CID:101427404

---

Chemical structure information

SMILES:
CC(CC(C(=O)N1CCC2C1C(=O)NC(Cc1ccccc1)C(=O)N/C=Cc1ccc(O2)cc1)NC(=O)C(N(C)C)C)C

InChI:
InChI=1S/C33H43N5O5/c1-21(2)19-27(36-30(39)22(3)37(4)5)33(42)38-18-16-28-29(38)32(41)35-26(20-24-9-7-6-8-10-24)31(40)34-17-15-23-11-13-25(43-28)14-12-23/h6-15,17,21-22,26-29H,16,18-20H2,1-5H3,(H,34,40)(H,35,41)(H,36,39)/b17-15-

InChIKey:
FBRBJYJDDIHXEZ-ICFOKQHNSA-N

DeepSMILES:
CCCCC=O)NCCCC5C=O)NCCcccccc6)))))))C=O)N/C=CccccO%14)cc6)))))))))))))))))))NC=O)CNC)C))C))))))C

Functional groups:
CC(=O)N(C)C, CN(C)C, CNC(C)=O, c/C=CNC(C)=O, cOC

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1NC=Cc2ccc(cc2)OC2CCNC2C(=O)NC1Cc1ccccc1

Scaffold Graph/Node level:
OC1NCCC2CCC(CC2)OC2CCNC2C(O)NC1CC1CCCCC1

Scaffold Graph level:
CC1CCCC2CCC(CC2)CC2CCCC2C(C)CC1CC1CCCCC1

---

Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organic acids and derivatives

ClassyFire Class: Carboxylic acids and derivatives

ClassyFire Subclass: Amino acids, peptides, and analogues

NP Classifier Biosynthetic pathway: Alkaloids, Amino acids and Peptides

NP Classifier Superclass: Peptide alkaloids

NP Classifier Class: Ansa peptide alkaloids

NP-Likeness score: 1.401

---

Chemical structure download