Summary

IMPPAT Phytochemical identifier: IMPHY014454

Phytochemical name: 2,4,5,7alpha-Tetrahydro-1,4,4,7a-tetramethyl-1H-inden-2-ol

Synonymous chemical names:
2,2,6,7-tetramethyl bicyclo[4.3.0]nona-4,9(1)-dien-8-ol

External chemical identifiers:
CID:66963592, SureChEMBL:SCHEMBL1245659

---

Chemical structure information

SMILES:
OC1C=C2C(C1C)(C)C=CCC2(C)C

InChI:
InChI=1S/C13H20O/c1-9-10(14)8-11-12(2,3)6-5-7-13(9,11)4/h5,7-10,14H,6H2,1-4H3

InChIKey:
MHUYBIUXLMLCJM-UHFFFAOYSA-N

DeepSMILES:
OCC=CCC5C))C)C=CCC6C)C

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

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=CC2CCC=C2CC1

Scaffold Graph/Node level:
C1CCC2CCCC2C1

Scaffold Graph level:
C1CCC2CCCC2C1

---

Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organic oxygen compounds

ClassyFire Class: Organooxygen compounds

ClassyFire Subclass: Alcohols and polyols

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Sesquiterpenoids

NP-Likeness score: 2.963

---

Chemical structure download