Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID017357

Phytochemical name: Hysodricanine a

Synonymous chemical names:
Hysodricanine A, hysodricanine a

External chemical identifiers:
CID:CID_177438829

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Chemical structure information

SMILES:
CCC(C(C(=O)NC(C(=O)N1CCC2C1C(=O)N1CCCC1C(=O)N/C=C\c1ccc(O2)cc1)Cc1ccccc1)N(C)C)C

InChI:
InChI=1S/C35H45N5O5/c1-5-23(2)30(38(3)4)33(42)37-27(22-25-10-7-6-8-11-25)34(43)40-21-18-29-31(40)35(44)39-20-9-12-28(39)32(41)36-19-17-24-13-15-26(45-29)16-14-24/h6-8,10-11,13-17,19,23,27-31H,5,9,12,18,20-22H2,1-4H3,(H,36,41)(H,37,42)/b19-17-

InChIKey:
YBMLXDHEGYEYIZ-ZPHPHTNESA-N

DeepSMILES:
CCCCC=O)NCC=O)NCCCC5C=O)NCCCC5C=O)N/C=C\ccccO%17)cc6))))))))))))))))))))))Ccccccc6))))))))))NC)C)))C

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1NC=Cc2ccc(cc2)OC2CCN(C(=O)CCc3ccccc3)C2C(=O)N2CCCC12

Scaffold Graph/Node level:
OC1NCCC2CCC(CC2)OC2CCN(C(O)CCC3CCCCC3)C2C(O)N2CCCC12

Scaffold Graph level:
CC1CCCC2CCC(CC2)CC2CCC(C(C)CCC3CCCCC3)C2C(C)C2CCCC12

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Phenylpropanoids and polyketides

ClassyFire Class: Macrolactams

NP Classifier Biosynthetic pathway: Alkaloids, Amino acids and Peptides

NP Classifier Superclass: Peptide alkaloids

NP Classifier Class: Ansa peptide alkaloids

NP-Likeness score: 1.312

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Chemical structure download