Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID000561

Phytochemical name: Maalialcohol

Synonymous chemical names:
Maaliol, maaliol, Maalialcohol

External chemical identifiers:
CID:CID_10944069, ZINC:ZINC000033832364

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Chemical structure information

SMILES:
C[C@]1(O)CCC[C@@]2([C@@H]1[C@H]1[C@H](C1(C)C)CC2)C

InChI:
InChI=1S/C15H26O/c1-13(2)10-6-9-14(3)7-5-8-15(4,16)12(14)11(10)13/h10-12,16H,5-9H2,1-4H3/t10-,11-,12+,14+,15+/m1/s1

InChIKey:
CJRKEDMYNFITCQ-MUGBGTHKSA-N

DeepSMILES:
C[C@]O)CCC[C@@][C@@H]6[C@H][C@H]C3C)C))CC6)))))C

Functional groups:
CO

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1CCC2C(C1)CCC1CC12

Scaffold Graph/Node level:
C1CCC2C(C1)CCC1CC12

Scaffold Graph level:
C1CCC2C(C1)CCC1CC12

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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, Cycloeudesmane sesquiterpenoids

NP-Likeness score: 3.049

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Chemical structure download