Summary

IMPPAT Phytochemical identifier: IMPHY006282

Phytochemical name: 6-Methyl-3-pentyl-9-(prop-1-en-2-yl)dibenzo[b,d]furan-1-ol

Synonymous chemical names:
dehydrocannabifuran

External chemical identifiers:
CID:59444381, SureChEMBL:SCHEMBL13214162

---

Chemical structure information

SMILES:
CCCCCc1cc(O)c2c(c1)oc1c2c(ccc1C)C(=C)C

InChI:
InChI=1S/C21H24O2/c1-5-6-7-8-15-11-17(22)20-18(12-15)23-21-14(4)9-10-16(13(2)3)19(20)21/h9-12,22H,2,5-8H2,1,3-4H3

InChIKey:
NAGBBYZBIQVPIQ-UHFFFAOYSA-N

DeepSMILES:
CCCCCcccO)ccc6)occ5cccc6C))))C=C)C

Functional groups:
cC(=C)C, cO, coc

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccc2c(c1)oc1ccccc12

Scaffold Graph/Node level:
C1CCC2C(C1)OC1CCCCC12

Scaffold Graph level:
C1CCC2C(C1)CC1CCCCC12

---

Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Benzofurans

ClassyFire Subclass: Dibenzofurans

NP Classifier Biosynthetic pathway: Polyketides

NP-Likeness score: 0.919

---

Chemical structure download