Summary

IMPPAT Phytochemical identifier: IMPHY011271

Phytochemical name: Acoric acid

Synonymous chemical names:
acoric acid, acoric-acid

External chemical identifiers:
CID:25750964, ZINC:ZINC000013307544

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Chemical structure information

SMILES:
OC(=O)C[C@@H]([C@@]1(CC[C@H](C(=O)C1)C)C(=O)C(C)C)C

InChI:
InChI=1S/C15H24O4/c1-9(2)14(19)15(11(4)7-13(17)18)6-5-10(3)12(16)8-15/h9-11H,5-8H2,1-4H3,(H,17,18)/t10-,11+,15+/m1/s1

InChIKey:
ZIOCYJNRYIRTQD-ZETOZRRWSA-N

DeepSMILES:
OC=O)C[C@@H][C@@]CC[C@H]C=O)C6))C))))C=O)CC)C))))C

Functional groups:
CC(=O)O, CC(C)=O

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1CCCCC1

Scaffold Graph/Node level:
OC1CCCCC1

Scaffold Graph level:
CC1CCCCC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Prenol lipids

ClassyFire Subclass: Monoterpenoids

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Sesquiterpenoids, Monoterpenoids

NP Classifier Class: Acorane sesquiterpenoids, Menthane monoterpenoids

NP-Likeness score: 1.448

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Chemical structure download