Summary

IMPPAT Phytochemical identifier: IMPHY015074

Phytochemical name: (12-Methyl-4-methylidene-14,19-dioxa-17-azaheptacyclo[10.7.2.22,5.02,7.08,18.08,21.013,17]tricosan-3-yl) acetate

Synonymous chemical names:
spiramine b

External chemical identifiers:
CID:500088

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Chemical structure information

SMILES:
CC(=O)OC1C(=C)C2CCC31C1OC4C5(C3C2)C(C1)C(C1N4CCO1)(C)CCC5

InChI:
InChI=1S/C24H33NO4/c1-13-15-5-8-24(19(13)28-14(2)26)17(11-15)23-7-4-6-22(3)16(23)12-18(24)29-21(23)25-9-10-27-20(22)25/h15-21H,1,4-12H2,2-3H3

InChIKey:
ZPELMDXCJZDIBP-UHFFFAOYSA-N

DeepSMILES:
CC=O)OCC=C)CCCC6COCCC6C%10))CC6)CCN6CCO5)))))C)CCC6

Functional groups:
C=C(C)C, COC(C)=O, COC(C)N1CCOC1C

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C=C1CC23CCC1CC2C12CCCC4C5OCCN5C1OC3CC42

Scaffold Graph/Node level:
CC1CC23CCC1CC2C12CCCC4C5OCCN5C1OC3CC42

Scaffold Graph level:
CC1CC23CCC1CC2C12CCCC4C5CCCC5C1CC3CC42

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Prenol lipids

ClassyFire Subclass: Diterpenoids

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Diterpenoids

NP-Likeness score: 3.104

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Chemical structure download