Summary

IMPPAT Phytochemical identifier: IMPHY008054

Phytochemical name: Erythroxydiol Y

Synonymous chemical names:
erythroxydiol y

External chemical identifiers:
CID:101281343, ZINC:ZINC000238783582

---

Chemical structure information

SMILES:
OC[C@@H]([C@@]1(C)CC[C@]2([C@H](C1)CC[C@@]1([C@@H]2CCCC1=C)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/h15-17,21-22H,1,5-13H2,2-4H3/t15-,16-,17-,18-,19-,20-/m0/s1

InChIKey:
UYGXPWFTEFJODO-RABCQHRBSA-N

DeepSMILES:
OC[C@@H][C@@]C)CC[C@][C@H]C6)CC[C@@][C@@H]6CCCC6=C))))))C)))))C)))))O

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

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
C=C1CCCC2C1CCC1CCCCC12

Scaffold Graph/Node level:
CC1CCCC2C1CCC1CCCCC12

Scaffold Graph level:
CC1CCCC2C1CCC1CCCCC12

---

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: 3.178

---

Chemical structure download