Summary

IMPPAT Phytochemical identifier: IMPHY006028

Phytochemical name: Yingzhaosu D

Synonymous chemical names:
yingzhaosu d

External chemical identifiers:
CID:76965835, FDASRS:H2YF6RT7WP

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Chemical structure information

SMILES:
CC1=CC[C@H](CC1)[C@](/C=C/[C@H](C(O)(C)C)O)(O)C

InChI:
InChI=1S/C15H26O3/c1-11-5-7-12(8-6-11)15(4,18)10-9-13(16)14(2,3)17/h5,9-10,12-13,16-18H,6-8H2,1-4H3/b10-9+/t12-,13-,15+/m1/s1

InChIKey:
LWZJOPWOCKMHSC-YJQVIICOSA-N

DeepSMILES:
CC=CC[C@H]CC6))[C@]/C=C/[C@H]CO)C)C))O))))O)C

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=CCCCC1

Scaffold Graph/Node level:
C1CCCCC1

Scaffold Graph level:
C1CCCCC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Prenol lipids

ClassyFire Subclass: Sesquiterpenoids

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Sesquiterpenoids

NP Classifier Class: Arteminisin

NP-Likeness score: 2.252

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Chemical structure download