Summary

IMPPAT Phytochemical identifier: IMPHY006093

Phytochemical name: Amasterol

Synonymous chemical names:
amasterol

External chemical identifiers:
CID:74951786

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Chemical structure information

SMILES:
OC1CCC2(C(=CC=C3C2CCC2(C3CCC2C(CCC(=C)C(C)C)(O)C)C)C1)C

InChI:
InChI=1S/C28H44O2/c1-18(2)19(3)11-16-28(6,30)25-10-9-23-22-8-7-20-17-21(29)12-14-26(20,4)24(22)13-15-27(23,25)5/h7-8,18,21,23-25,29-30H,3,9-17H2,1-2,4-6H3

InChIKey:
VRCVXRWYXYWACO-UHFFFAOYSA-N

DeepSMILES:
OCCCCC=CC=CC6CCCC6CCC5CCCC=C)CC)C)))))O)C))))))C))))))))C6))C

Functional groups:
C=C(C)C, CC1=CC=C(C)CC1, CO

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=C2CCCCC2C2CCC3CCCC3C2=C1

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: Ergostane steroids

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Steroids

NP Classifier Class: Ergostane steroids

NP-Likeness score: 3.14

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Chemical structure download