Summary

IMPPAT Phytochemical identifier: IMPHY004305

Phytochemical name: Oblongifolic acid

Synonymous chemical names:
oblongifolic acid

External chemical identifiers:
CID:101324732, ZINC:ZINC000001697088

---

Chemical structure information

SMILES:
C=C[C@]1(C)CC[C@@H]2C(=CC[C@H]3[C@@]2(C)CCC[C@@]3(C)C(=O)O)C1

InChI:
InChI=1S/C20H30O2/c1-5-18(2)12-9-15-14(13-18)7-8-16-19(15,3)10-6-11-20(16,4)17(21)22/h5,7,15-16H,1,6,8-13H2,2-4H3,(H,21,22)/t15-,16+,18-,19+,20-/m1/s1

InChIKey:
MXYATHGRPJZBNA-LWASTNQWSA-N

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

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

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=C2CCCCC2C2CCCCC2C1

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: Pimarane and Isopimarane diterpenoids

NP-Likeness score: 3.485

---

Chemical structure download