Summary

IMPPAT Phytochemical identifier: IMPHY014614

Phytochemical name: Ancistroquinone

Synonymous chemical names:
ancistroquinone

External chemical identifiers:
CID:102134909

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Chemical structure information

SMILES:
COc1c(C)cc2c(c1O)C1CCOC2(CC1)C(C)C

InChI:
InChI=1S/C17H24O3/c1-10(2)17-7-5-12(6-8-20-17)14-13(17)9-11(3)16(19-4)15(14)18/h9-10,12,18H,5-8H2,1-4H3

InChIKey:
UTJBCSFIHILPIC-UHFFFAOYSA-N

DeepSMILES:
COccC)cccc6O))CCCOC7CC7))CC)C

Functional groups:
COC, cO, cOC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccc2c(c1)C1CCOC2CC1

Scaffold Graph/Node level:
C1CCC2C3CCC(CCO3)C2C1

Scaffold Graph level:
C1CC2CCC(C1)C1CCCCC21

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Benzenoids

ClassyFire Class: Tetralins

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Sesquiterpenoids

NP Classifier Class: Cadinane sesquiterpenoids

NP-Likeness score: 1.171

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Chemical structure download