Summary

IMPPAT Phytochemical identifier: IMPHY010695

Phytochemical name: 24-Methylene-24-dihydroparkeol

Synonymous chemical names:
24-methylene-24-dihydroparkeol

Chemical structure information

SMILES:
C=C(C(C)C)CC[C@H]([C@H]1CC[C@@]2([C@]1(C)CC=C1C2CCC2[C@]1(C)CC[C@@H](C2(C)C)O)C)C

InChI:
InChI=1S/C31H52O/c1-20(2)21(3)10-11-22(4)23-14-18-31(9)25-12-13-26-28(5,6)27(32)16-17-29(26,7)24(25)15-19-30(23,31)8/h15,20,22-23,25-27,32H,3,10-14,16-19H2,1-2,4-9H3/t22-,23-,25?,26?,27+,29-,30-,31+/m1/s1

InChIKey:
BEEARZYDKRRUMX-LLQJXQHLSA-N

DeepSMILES:
C=CCC)C))CC[C@H][C@H]CC[C@@][C@]5C)CC=CC6CCC[C@]6C)CC[C@@H]C6C)C))O)))))))))))))C)))))C

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=C2C3CCCCC3CCC2C2CCCC2C1

Scaffold Graph/Node level:
C1CCC2C(C1)CCC1C3CCCC3CCC21

Scaffold Graph level:
C1CCC2C(C1)CCC1C3CCCC3CCC21

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Steroids and steroid derivatives

ClassyFire Subclass: Ergostane steroids

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Triterpenoids

NP Classifier Class: Lanostane, Tirucallane and Euphane triterpenoids

NP-Likeness score: 3.499

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Chemical structure download