Summary

IMPPAT Phytochemical identifier: IMPHY003146

Phytochemical name: 10-Bromostrictosidine

Synonymous chemical names:
10-bromostrictosidine

External chemical identifiers:
CID:25109979

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Chemical structure information

SMILES:
C=C[C@@H]1[C@@H](OC=C([C@H]1C[C@@H]1NCCc2c1[nH]c1c2cc(cc1)Br)C(=O)OC)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O

InChI:
InChI=1S/C27H33BrN2O9/c1-3-13-15(9-19-21-14(6-7-29-19)16-8-12(28)4-5-18(16)30-21)17(25(35)36-2)11-37-26(13)39-27-24(34)23(33)22(32)20(10-31)38-27/h3-5,8,11,13,15,19-20,22-24,26-27,29-34H,1,6-7,9-10H2,2H3/t13-,15-,19-,20+,22+,23-,24+,26-,27-/m0/s1

InChIKey:
HQYCZHDFIMDLAN-QAVNHIQOSA-N

DeepSMILES:
C=C[C@@H][C@@H]OC=C[C@H]6C[C@@H]NCCcc6[nH]cc5cccc6))Br))))))))))))))C=O)OC))))))O[C@@H]O[C@H]CO))[C@H][C@@H][C@H]6O))O))O

Functional groups:
C=CC, CNC, CO, COC(=O)C1=CO[C@@H](O[C@@H](C)OC)CC1, cBr, c[nH]c

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=CC(CC2NCCc3c2[nH]c2ccccc32)CC(OC2CCCCO2)O1

Scaffold Graph/Node level:
C1CCC(OC2CC(CC3NCCC4C5CCCCC5NC34)CCO2)OC1

Scaffold Graph level:
C1CCC(CC2CCCC(CC3CCCC4C5CCCCC5CC34)C2)CC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Prenol lipids

ClassyFire Subclass: Terpene glycosides

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Tryptophan alkaloids

NP Classifier Class: Carboline alkaloids

NP-Likeness score: 2.047

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Chemical structure download