Summary

IMPPAT Phytochemical identifier: IMPHY012596

Phytochemical name: Selin-11-en-4alpha-ol

Synonymous chemical names:
a-seiin-11-en-4o-oi, kongol, selin- 11 en-4α-01, selin-11-en-4- α -ol, selin-11-en-4-alpha-ol, selin-11-en-4-á-ol, selin-11-en-4-˛-ol, selin-11-en-4-α -ol, selin-11-en-4-α-ol, selin-11-en-4x-ol, selin-11-en-4α-ol

External chemical identifiers:
CID:15560330, ChEMBL:CHEMBL505457, ZINC:ZINC000012153414, SureChEMBL:SCHEMBL6513304

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Chemical structure information

SMILES:
CC(=C)[C@@H]1CC[C@@]2([C@@H](C1)[C@](C)(O)CCC2)C

InChI:
InChI=1S/C15H26O/c1-11(2)12-6-9-14(3)7-5-8-15(4,16)13(14)10-12/h12-13,16H,1,5-10H2,2-4H3/t12-,13-,14-,15-/m1/s1

InChIKey:
DPQYOKVMVCQHMY-KBUPBQIOSA-N

DeepSMILES:
CC=C)[C@@H]CC[C@@][C@@H]C6)[C@]C)O)CCC6)))))C

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1CCC2CCCCC2C1

Scaffold Graph/Node level:
C1CCC2CCCCC2C1

Scaffold Graph level:
C1CCC2CCCCC2C1

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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: Eudesmane sesquiterpenoids

NP-Likeness score: 2.993

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Chemical structure download