Summary

IMPPAT Phytochemical identifier: IMPHY015514

Phytochemical name: Biformen

Synonymous chemical names:
biformen

External chemical identifiers:
CID:5377466

---

Chemical structure information

SMILES:
C=C/C(=C/CC1C(=C)CCC2C1(C)CCCC2(C)C)/C

InChI:
InChI=1S/C20H32/c1-7-15(2)9-11-17-16(3)10-12-18-19(4,5)13-8-14-20(17,18)6/h7,9,17-18H,1,3,8,10-14H2,2,4-6H3/b15-9+

InChIKey:
VJVMMXUPZGOBSN-OQLLNIDSSA-N

DeepSMILES:
C=C/C=C/CCC=C)CCCC6C)CCCC6C)C)))))))))))))/C

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

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
C=C1CCC2CCCCC2C1

Scaffold Graph/Node level:
CC1CCC2CCCCC2C1

Scaffold Graph level:
CC1CCC2CCCCC2C1

---

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: Labdane diterpenoids

NP-Likeness score: 3.402

---

Chemical structure download