Summary

IMPPAT Phytochemical identifier: IMPHY008055

Phytochemical name: Erythroxydiol Z

Synonymous chemical names:
erythroxydiol z

External chemical identifiers:
CID:101277377

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Chemical structure information

SMILES:
OC[C@@H]([C@@]1(C)CC[C@]2([C@H](C1)CC[C@@]1([C@@H]2CCC=C1C)C)C)O

InChI:
InChI=1S/C20H34O2/c1-14-6-5-7-16-19(14,3)9-8-15-12-18(2,17(22)13-21)10-11-20(15,16)4/h6,15-17,21-22H,5,7-13H2,1-4H3/t15-,16-,17-,18-,19-,20-/m0/s1

InChIKey:
IRRXAUMIYZICTI-RABCQHRBSA-N

DeepSMILES:
OC[C@@H][C@@]C)CC[C@][C@H]C6)CC[C@@][C@@H]6CCC=C6C))))))C)))))C)))))O

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=CC2CCC3CCCCC3C2CC1

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: Erythroxylane diterpenoids

NP-Likeness score: 3.201

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Chemical structure download