Summary

IMPPAT Phytochemical identifier: IMPHY001042

Phytochemical name: Daucol

Synonymous chemical names:
daucol, daucol (11), daucol*

External chemical identifiers:
CID:442363, ChEBI:4329, FDASRS:I0ZU59LV27

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Chemical structure information

SMILES:
CC([C@H]1CC[C@]2([C@@]31CC[C@@](O3)(C)[C@H](C2)O)C)C

InChI:
InChI=1S/C15H26O2/c1-10(2)11-5-6-13(3)9-12(16)14(4)7-8-15(11,13)17-14/h10-12,16H,5-9H2,1-4H3/t11-,12+,13-,14+,15+/m1/s1

InChIKey:
VLIUMVVQGMLOJG-SEBNEYGDSA-N

DeepSMILES:
CC[C@H]CC[C@][C@]5CC[C@@]O5)C)[C@H]C7)O))))))C)))))C

Functional groups:
CO, COC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1CC2CCC3CCC2(C1)O3

Scaffold Graph/Node level:
C1CC2CCC3CCC2(C1)O3

Scaffold Graph level:
C1CC2CCC3CCC2(C1)C3

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Oxanes

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Sesquiterpenoids

NP Classifier Class: Daucane sesquiterpenoids

NP-Likeness score: 3.3

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Chemical structure download