Summary

IMPPAT Phytochemical identifier: IMPHY013421

Phytochemical name: Cycloaltilisin

Synonymous chemical names:
cycloaltilisin

External chemical identifiers:
CID:44258301, ChEBI:176143

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Chemical structure information

SMILES:
COc1cc2OC(C=C(C)C)c3c(-c2cc1O)oc1c(c3=O)c(O)cc(c1CC=C(C)C)O

InChI:
InChI=1S/C26H26O7/c1-12(2)6-7-14-16(27)10-18(29)22-24(30)23-21(8-13(3)4)32-19-11-20(31-5)17(28)9-15(19)26(23)33-25(14)22/h6,8-11,21,27-29H,7H2,1-5H3

InChIKey:
RVJOJRVPGYKMQS-UHFFFAOYSA-N

DeepSMILES:
COcccOCC=CC)C)))cc-c6cc%10O))))occc6=O))cO)ccc6CC=CC)C)))))O

Functional groups:
CC=C(C)C, c=O, cO, cOC, coc

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=c1c2c(oc3ccccc13)-c1ccccc1OC2

Scaffold Graph/Node level:
OC1C2CCCCC2OC2C3CCCCC3OCC12

Scaffold Graph level:
CC1C2CCCCC2CC2C3CCCCC3CCC12

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Phenylpropanoids and polyketides

ClassyFire Class: Flavonoids

ClassyFire Subclass: Pyranoflavonoids

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Flavonoids

NP Classifier Class: Flavones

NP-Likeness score: 2.357

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Chemical structure download