Summary

IMPPAT Phytochemical identifier: IMPHY017839

Phytochemical name: 4(15)-Dehydroglobulol

Synonymous chemical names:
4(15)-dehydroglobulol

External chemical identifiers:
CID:91747483

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Chemical structure information

SMILES:
C=C1CCC2C1[C@@H]1[C@@H](C1(C)C)CC[C@]2(C)O

InChI:
InChI=1S/C15H24O/c1-9-5-6-10-12(9)13-11(14(13,2)3)7-8-15(10,4)16/h10-13,16H,1,5-8H2,2-4H3/t10?,11-,12?,13-,15-/m0/s1

InChIKey:
GHXWXJHYNMHBGF-PMHIFUKMSA-N

DeepSMILES:
C=CCCCC5[C@@H][C@@H]C3C)C))CC[C@]7C)O

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C=C1CCC2CCCC3CC3C12

Scaffold Graph/Node level:
CC1CCC2CCCC3CC3C12

Scaffold Graph level:
CC1CCC2CCCC3CC3C12

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Prenol lipids

ClassyFire Subclass: Sesquiterpenoids

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Sesquiterpenoids

NP Classifier Class: Aromadendrane sesquiterpenoids

NP-Likeness score: 3.147

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Chemical structure download