Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID017902

Phytochemical name: Dactylorhin C

Synonymous chemical names:
Dactylorhin C

External chemical identifiers:
CID:CID_10521921

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Chemical structure information

SMILES:
OC[C@H]1O[C@@H](O[C@@](C(=O)O)(CC(=O)O)CC(C)C)[C@@H]([C@H]([C@@H]1O)O)O

InChI:
InChI=1S/C14H24O10/c1-6(2)3-14(13(21)22,4-8(16)17)24-12-11(20)10(19)9(18)7(5-15)23-12/h6-7,9-12,15,18-20H,3-5H2,1-2H3,(H,16,17)(H,21,22)/t7-,9-,10+,11-,12+,14-/m1/s1

InChIKey:
RLSITCAUHUNHRO-BGWRNRDFSA-N

DeepSMILES:
OC[C@H]O[C@@H]O[C@@]C=O)O))CC=O)O)))CCC)C)))))[C@@H][C@H][C@@H]6O))O))O

Functional groups:
CO, CO[C@@H](C)OC, CC(=O)O

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1CCOCC1

Scaffold Graph/Node level:
C1CCOCC1

Scaffold Graph level:
C1CCCCC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Fatty acyls

ClassyFire Subclass: Fatty acyl glycosides

NP-Likeness score: 1.755

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Chemical structure download