Summary

IMPPAT Phytochemical identifier: IMPHY007478

Phytochemical name: (2R)-5,7,8-trimethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydro-2H-chromen-6-ol

Synonymous chemical names:
c28h48o2

External chemical identifiers:
CID:9806957, ZINC:ZINC000005921400, SureChEMBL:SCHEMBL16382049, MolPort-005-909-586

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Chemical structure information

SMILES:
C[C@@H](CCC[C@@H]1CCc2c(O1)c(C)c(c(c2C)O)C)CCC[C@@H](CCCC(C)C)C

InChI:
InChI=1S/C28H48O2/c1-19(2)11-8-12-20(3)13-9-14-21(4)15-10-16-25-17-18-26-24(7)27(29)22(5)23(6)28(26)30-25/h19-21,25,29H,8-18H2,1-7H3/t20-,21-,25-/m1/s1

InChIKey:
WCLCXQXLAQYYQC-DNRQZRRGSA-N

DeepSMILES:
C[C@@H]CCC[C@@H]CCccO6)cC)ccc6C))O))C)))))))))))CCC[C@@H]CCCCC)C)))))C

Functional groups:
cO, cOC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccc2c(c1)CCCO2

Scaffold Graph/Node level:
C1CCC2OCCCC2C1

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: Meroterpenoids

NP Classifier Class: Prenyl quinone meroterpenoids

NP-Likeness score: 1.188

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Chemical structure download