Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID017995

Phytochemical name: 1-Deoxycapsidiol

Synonymous chemical names:
1-Deoxycapsidiol

External chemical identifiers:
CID:CID_14486926, ChEBI:CHEBI:72638

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Chemical structure information

SMILES:
CC(=C)[C@@H]1CC=C2[C@@](C1)(C)[C@H](C)[C@@H](CC2)O

InChI:
InChI=1S/C15H24O/c1-10(2)12-5-6-13-7-8-14(16)11(3)15(13,4)9-12/h6,11-12,14,16H,1,5,7-9H2,2-4H3/t11-,12-,14-,15-/m1/s1

InChIKey:
TWGYXCCDWSORFO-QHSBEEBCSA-N

DeepSMILES:
CC=C)[C@@H]CC=C[C@@]C6)C)[C@H]C)[C@@H]CC6))O

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=C2CCCCC2CCC1

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: Eremophilane sesquiterpenoids

NP-Likeness score: 3.124

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Chemical structure download