Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID007732

Phytochemical name: Cryptoresinol

Synonymous chemical names:
Cryptoresinol, cryptoresinol

External chemical identifiers:
CID:CID_101461988

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Chemical structure information

SMILES:
OC[C@H]1O[C@H](C=C1c1ccc(cc1)O)c1ccc(cc1)O

InChI:
InChI=1S/C17H16O4/c18-10-17-15(11-1-5-13(19)6-2-11)9-16(21-17)12-3-7-14(20)8-4-12/h1-9,16-20H,10H2/t16-,17-/m1/s1

InChIKey:
JTAOIOJXOYUGRH-IAGOWNOFSA-N

DeepSMILES:
OC[C@H]O[C@H]C=C5cccccc6))O)))))))cccccc6))O

Functional groups:
CO, COC, cC(=CC)C, cO

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=C(c2ccccc2)COC1c1ccccc1

Scaffold Graph/Node level:
C1CCC(C2COC(C3CCCCC3)C2)CC1

Scaffold Graph level:
C1CCC(C2CCC(C3CCCCC3)C2)CC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Benzenoids

ClassyFire Class: Phenols

ClassyFire Subclass: 1-hydroxy-2-unsubstituted benzenoids

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Lignans

NP Classifier Class: Neolignans

NP-Likeness score: 0.973

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Chemical structure download