Summary

IMPPAT Phytochemical identifier: IMPHY001573

Phytochemical name: Impressic Acid

Synonymous chemical names:
impressic acid

External chemical identifiers:
CID:15038462, ChEMBL:CHEMBL1271693, ZINC:ZINC000064539318

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Chemical structure information

SMILES:
O[C@@H]1C[C@@H]2[C@H]3[C@@H](CC[C@@]3(CC[C@]2([C@]2([C@H]1[C@@]1(C)CC[C@H](C([C@@H]1CC2)(C)C)O)C)C)C(=O)O)C(=C)C

InChI:
InChI=1S/C30H48O4/c1-17(2)18-8-13-30(25(33)34)15-14-28(6)19(23(18)30)16-20(31)24-27(5)11-10-22(32)26(3,4)21(27)9-12-29(24,28)7/h18-24,31-32H,1,8-16H2,2-7H3,(H,33,34)/t18-,19+,20+,21-,22+,23+,24+,27-,28+,29+,30-/m0/s1

InChIKey:
CQYNGKPLHGNVHC-LEBDGTJJSA-N

DeepSMILES:
O[C@@H]C[C@@H][C@H][C@@H]CC[C@@]5CC[C@]9[C@][C@H]%13[C@@]C)CC[C@H]C[C@@H]6CC%10)))C)C))O))))))C))C))))C=O)O)))))C=C)C

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1CCC2C(C1)CCC1C2CCC2C3CCCC3CCC21

Scaffold Graph/Node level:
C1CCC2C(C1)CCC1C2CCC2C3CCCC3CCC21

Scaffold Graph level:
C1CCC2C(C1)CCC1C2CCC2C3CCCC3CCC21

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Prenol lipids

ClassyFire Subclass: Triterpenoids

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Triterpenoids

NP Classifier Class: Lupane triterpenoids

NP-Likeness score: 3.27

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Chemical structure download