Summary

IMPPAT Phytochemical identifier: IMPHY002645

Phytochemical name: Yucalexin P17

Synonymous chemical names:
yucalexin p17

External chemical identifiers:
CID:14191204

---

Chemical structure information

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

InChI:
InChI=1S/C20H30O3/c1-6-19(4)10-12-7-8-15-18(2,3)17(23)14(21)11-20(15,5)13(12)9-16(19)22/h6,10,13,15-17,22-23H,1,7-9,11H2,2-5H3

InChIKey:
OKNGHMJLXXXEEZ-UHFFFAOYSA-N

DeepSMILES:
C=CCC)C=CCCCCC6CC%10O))))C)CC=O)CC6C)C))O

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

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1CCC2CCC3=CCCCC3C2C1

Scaffold Graph/Node level:
OC1CCC2CCC3CCCCC3C2C1

Scaffold Graph level:
CC1CCC2CCC3CCCCC3C2C1

---

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: 3.375

---

Chemical structure download