Summary

IMPPAT Phytochemical identifier: IMPHY013552

Phytochemical name: Stenocereol

Synonymous chemical names:
stenocereol

External chemical identifiers:
CID:86035860, ChEBI:175327

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Chemical structure information

SMILES:
OC1CCC2(C(C1)C(O)CC1=C2CCC2(C1(C)CCC2C(CCC=C(C)C)C)C)C

InChI:
InChI=1S/C28H46O2/c1-18(2)8-7-9-19(3)21-11-14-28(6)23-17-25(30)24-16-20(29)10-13-26(24,4)22(23)12-15-27(21,28)5/h8,19-21,24-25,29-30H,7,9-17H2,1-6H3

InChIKey:
BHMYRYNHHQYGTN-UHFFFAOYSA-N

DeepSMILES:
OCCCCCC6)CO)CC=C6CCCC6C)CCC5CCCC=CC)C)))))C))))))C)))))))))C

Functional groups:
CC(C)=C(C)C, CC=C(C)C, CO

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1CCC2C3=C(CCC2C1)C1CCCC1CC3

Scaffold Graph/Node level:
C1CCC2C(C1)CCC1C3CCCC3CCC21

Scaffold Graph level:
C1CCC2C(C1)CCC1C3CCCC3CCC21

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Steroids and steroid derivatives

ClassyFire Subclass: Cholestane steroids

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Steroids

NP Classifier Class: Cholestane steroids

NP-Likeness score: 3.345

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Chemical structure download