Summary

IMPPAT Phytochemical identifier: IMPHY014617

Phytochemical name: 15-Hydroxyimbricatolic acid

Synonymous chemical names:
15-hydroxy-imbricatolic acid

External chemical identifiers:
CID:102364050

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Chemical structure information

SMILES:
OCC[C@@H](CC[C@H]1C(=C)CCC2[C@]1(C)CCC[C@]2(C)C(=O)OC)C

InChI:
InChI=1S/C21H36O3/c1-15(11-14-22)7-9-17-16(2)8-10-18-20(17,3)12-6-13-21(18,4)19(23)24-5/h15,17-18,22H,2,6-14H2,1,3-5H3/t15-,17+,18?,20-,21+/m1/s1

InChIKey:
RBLSXVITVQCZSU-VQEIGYSISA-N

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

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C=C1CCC2CCCCC2C1

Scaffold Graph/Node level:
CC1CCC2CCCCC2C1

Scaffold Graph level:
CC1CCC2CCCCC2C1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Prenol lipids

ClassyFire Subclass: Diterpenoids

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Diterpenoids

NP Classifier Class: Norlabdane diterpenoids

NP-Likeness score: 2.839

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Chemical structure download