Summary

IMPPAT Phytochemical identifier: IMPHY000502

Phytochemical name: Cherimolin 2

Synonymous chemical names:
cherimolin 2

Chemical structure information

SMILES:
O(Cc1ccccc1)C[C@H]1[C@H](COCc2ccccc2)[C@H]2[C@@H]1O2

InChI:
InChI=1S/C20H22O3/c1-3-7-15(8-4-1)11-21-13-17-18(20-19(17)23-20)14-22-12-16-9-5-2-6-10-16/h1-10,17-20H,11-14H2/t17-,18-,19-,20+/m0/s1

InChIKey:
YEXCCZQZQXHKRH-LWYYNNOASA-N

DeepSMILES:
OCcccccc6)))))))C[C@H][C@H]COCcccccc6)))))))))[C@H][C@@H]4O3

Functional groups:
C1C[C@H]2O[C@@H]12, COC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccc(COCC2C(COCc3ccccc3)C3OC23)cc1

Scaffold Graph/Node level:
C1CCC(COCC2C(COCC3CCCCC3)C3OC23)CC1

Scaffold Graph level:
C1CCC(CCCC2C(CCCC3CCCCC3)C3CC23)CC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Benzenoids

ClassyFire Class: Benzene and substituted derivatives

ClassyFire Subclass: Benzylethers

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP-Likeness score: 0.166

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Chemical structure download