Summary

IMPPAT Phytochemical identifier: IMPHY015596

Phytochemical name: Cyclosantalal

Synonymous chemical names:
cyclosantalal

External chemical identifiers:
CID:101925674

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Chemical structure information

SMILES:
O=CC([C@H]1CC[C@]2([C@]1(C)[C@@H]1CC[C@H]2C1)C)C

InChI:
InChI=1S/C15H24O/c1-10(9-16)13-6-7-14(2)11-4-5-12(8-11)15(13,14)3/h9-13H,4-8H2,1-3H3/t10?,11-,12+,13+,14+,15+/m0/s1

InChIKey:
NTBLMLGSBLTBPJ-OBYQMVEGSA-N

DeepSMILES:
O=CC[C@H]CC[C@][C@]5C)[C@@H]CC[C@H]6C5))))))C)))))C

Functional groups:
CC=O

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1CC2C3CCC(C3)C2C1

Scaffold Graph/Node level:
C1CC2C3CCC(C3)C2C1

Scaffold Graph level:
C1CC2C3CCC(C3)C2C1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Prenol lipids

ClassyFire Subclass: Monoterpenoids

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Sesquiterpenoids

NP-Likeness score: 2.411

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Chemical structure download