Summary

IMPPAT Phytochemical identifier: IMPHY011524

Phytochemical name: Bicyclohomofarnesal

Synonymous chemical names:
13,14,15,16-tetranorlabd-8(17)-en-12-al, gamma bicyclohomofarnesal

External chemical identifiers:
CID:10037034, ChEMBL:CHEMBL326761, ZINC:ZINC000014764993, SureChEMBL:SCHEMBL9864022

---

Chemical structure information

SMILES:
O=CC[C@H]1C(=C)CC[C@@H]2[C@]1(C)CCCC2(C)C

InChI:
InChI=1S/C16H26O/c1-12-6-7-14-15(2,3)9-5-10-16(14,4)13(12)8-11-17/h11,13-14H,1,5-10H2,2-4H3/t13-,14-,16+/m0/s1

InChIKey:
BFWKKBSHTOEBHL-OFQRWUPVSA-N

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

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

---

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: Organic oxygen compounds

ClassyFire Class: Organooxygen compounds

ClassyFire Subclass: Carbonyl compounds

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Diterpenoids

NP Classifier Class: Norlabdane diterpenoids

NP-Likeness score: 3.273

---

Chemical structure download