Summary

IMPPAT Phytochemical identifier: IMPHY002537

Phytochemical name: Isopimara-7,15-diene

Synonymous chemical names:
isopimaradiene

External chemical identifiers:
CID:13969536, ChEBI:52280, SureChEMBL:SCHEMBL17375882

---

Chemical structure information

SMILES:
C=C[C@@]1(C)CC[C@H]2C(=CC[C@@H]3[C@]2(C)CCCC3(C)C)C1

InChI:
InChI=1S/C20H32/c1-6-19(4)13-10-16-15(14-19)8-9-17-18(2,3)11-7-12-20(16,17)5/h6,8,16-17H,1,7,9-14H2,2-5H3/t16-,17-,19-,20+/m0/s1

InChIKey:
VCOVNILQQQZROK-QGZVKYPTSA-N

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

Functional groups:
C=CC, 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: 3.634

---

Chemical structure download