Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID006448

Phytochemical name: Cyclocopacamphan-12-al

Synonymous chemical names:
cyclocopacamphan-12-al

External chemical identifiers:
CID:CID_6428370

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Chemical structure information

SMILES:
O=CC([C@H]1CCC2([C@@H]3C1C1C([C@@]21C)C3)C)C

InChI:
InChI=1S/C15H22O/c1-8(7-16)9-4-5-14(2)10-6-11-13(12(9)10)15(11,14)3/h7-13H,4-6H2,1-3H3/t8?,9-,10+,11?,12?,13?,14?,15-/m1/s1

InChIKey:
JLHUXFWGEBRDST-AMQCQLRFSA-N

DeepSMILES:
O=CC[C@H]CCC[C@@H]C6CC[C@@]63C))C5)))))C)))))C

Functional groups:
CC=O

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1CC2C3CC4C2C4C3C1

Scaffold Graph/Node level:
C1CC2C3CC4C2C4C3C1

Scaffold Graph level:
C1CC2C3CC4C2C4C3C1

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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: Santalane sesquiterpenoids

NP-Likeness score: 2.99

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Chemical structure download