Summary

IMPPAT Phytochemical identifier: IMPHY008053

Phytochemical name: Erythroxydiol X

Synonymous chemical names:
erythroxydiol x

External chemical identifiers:
CID:15559160, ZINC:ZINC000238731312

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Chemical structure information

SMILES:
OC[C@@H]([C@@]1(C)CC[C@]2([C@H](C1)CC[C@@]13[C@@H]2CCC[C@]3(C1)C)C)O

InChI:
InChI=1S/C20H34O2/c1-17(16(22)12-21)9-10-19(3)14(11-17)6-8-20-13-18(20,2)7-4-5-15(19)20/h14-16,21-22H,4-13H2,1-3H3/t14-,15+,16-,17-,18-,19-,20-/m0/s1

InChIKey:
JUZKDQHWDRIUAM-DTMQFJJTSA-N

DeepSMILES:
OC[C@@H][C@@]C)CC[C@][C@H]C6)CC[C@][C@@H]6CCC[C@]6C7)C))))))))))C)))))O

Functional groups:
CO

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1CCC2C(C1)CCC13CC1CCCC23

Scaffold Graph/Node level:
C1CCC2C(C1)CCC13CC1CCCC23

Scaffold Graph level:
C1CCC2C(C1)CCC13CC1CCCC23

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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: Devadarane diterpenoids

NP-Likeness score: 3.197

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Chemical structure download