Summary

IMPPAT Phytochemical identifier: IMPHY002623

Phytochemical name: Yucalexin P21

Synonymous chemical names:
yucalexin p21

External chemical identifiers:
CID:14191208, ChEBI:170113

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Chemical structure information

SMILES:
C=CC1(C)C=C2CCC3C(C2CC1O)(C)CCC(C3(C)C)O

InChI:
InChI=1S/C20H32O2/c1-6-19(4)12-13-7-8-15-18(2,3)16(21)9-10-20(15,5)14(13)11-17(19)22/h6,12,14-17,21-22H,1,7-11H2,2-5H3

InChIKey:
BXDBZZUQTQKCEI-UHFFFAOYSA-N

DeepSMILES:
C=CCC)C=CCCCCC6CC%10O))))C)CCCC6C)C))O

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=C2CCC3CCCCC3C2CCC1

Scaffold Graph/Node level:
C1CCC2C(C1)CCC1CCCCC12

Scaffold Graph level:
C1CCC2C(C1)CCC1CCCCC12

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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 Classifier Class: Pimarane and Isopimarane diterpenoids

NP-Likeness score: 3.365

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Chemical structure download