Summary

IMPPAT Phytochemical identifier: IMPHY013145

Phytochemical name: Nezukol

Synonymous chemical names:
nezukol

External chemical identifiers:
CID:13969544, ChEBI:138166, ZINC:ZINC000014657313

---

Chemical structure information

SMILES:
C=C[C@@]1(C)CC[C@H]2[C@@](C1)(O)CC[C@@H]1[C@]2(C)CCCC1(C)C

InChI:
InChI=1S/C20H34O/c1-6-18(4)12-8-16-19(5)11-7-10-17(2,3)15(19)9-13-20(16,21)14-18/h6,15-16,21H,1,7-14H2,2-5H3/t15-,16+,18-,19-,20+/m0/s1

InChIKey:
IYDAPILQPCDHTO-HHUCQEJWSA-N

DeepSMILES:
C=C[C@@]C)CC[C@H][C@@]C6)O)CC[C@@H][C@]6C)CCCC6C)C

Functional groups:
C=CC, CO

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1CCC2C(C1)CCC1CCCCC12

Scaffold Graph/Node level:
C1CCC2C(C1)CCC1CCCCC12

Scaffold Graph level:
C1CCC2C(C1)CCC1CCCCC12

---

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: Norpimarane and Norisopimarane diterpenoids, Pimarane and Isopimarane diterpenoids

NP-Likeness score: 3.199

---

Chemical structure download