Summary

IMPPAT Phytochemical identifier: IMPHY011756

Phytochemical name: Eburicol

Synonymous chemical names:
24-methylene-24-dihydrolanosterol, 24-methylene-lanost-8-en-3β-ol, 24-methylenelanost-8-en-3β-ol, obtusifoldienol

External chemical identifiers:
CID:9803310, ChEMBL:CHEMBL1644796, ChEBI:70315, ZINC:ZINC000005440303, SureChEMBL:SCHEMBL4169147, MolPort-028-599-899

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Chemical structure information

SMILES:
CC(C(=C)CC[C@H]([C@H]1CC[C@@]2([C@]1(C)CCC1=C2CC[C@@H]2[C@]1(C)CC[C@@H](C2(C)C)O)C)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/h20,22-23,26-27,32H,3,10-19H2,1-2,4-9H3/t22-,23-,26+,27+,29-,30-,31+/m1/s1

InChIKey:
XJLZCPIILZRCPS-ANMPWZFDSA-N

DeepSMILES:
CCC=C)CC[C@H][C@H]CC[C@@][C@]5C)CCC=C6CC[C@@H][C@]6C)CC[C@@H]C6C)C))O)))))))))))))C)))))C)))))C

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1CCC2C3=C(CCC2C1)C1CCCC1CC3

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: Prenol lipids

ClassyFire Subclass: Triterpenoids

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Triterpenoids

NP Classifier Class: Lanostane, Tirucallane and Euphane triterpenoids

NP-Likeness score: 3.383

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Chemical structure download