bmse000754 Precocene 1 at BMRB

Precocene 1

Demethoxyageratochromene; 7-Methoxy-2,2-dimethylchromene; Precocene I; 2H-1-Benzopyran, 7-methoxy-2,2-dimethyl-; 2,2-Dimethyl-7-methoxy-2H-1-benzopyran; PRICOCENE I; 6-Demethoxyageratochromene; 2H-1-Benzopyran, 2,2-dimethyl-7-methoxy-; Precocene 1

Molecular Formula: C12 H14 O2
Natural Isotopic Abundance Mass: 190.23836
Mono-Isotopic Molecular Masses: C12N14: 190.0993796936; C13N14: 202.1396377472; C12N15: 190.0993796936; C13N15: 202.1396377472

Precocene 1

InCHi String:
InChI=1S/C12H14O2/c1-12(2)7-6-9-4-5-10(13-3)8-11(9)14-12/h4-8H,1-3H3

canonical and isomeric SMILES:
CC1(C=CC2=C(O1)C=C(C=C2)OC)C

PUBCHEM iupac NAME
7-methoxy-2,2-dimethylchromene

PUBCHEM iupac TRADITIONAL NAME
7-methoxy-2,2-dimethyl-chromene

PUBCHEM iupac CAS NAME
7-methoxy-2,2-dimethyl-1-benzopyran

PubChem Substance (SID):   111677883   171063   11209
PubChem Compound (CID):   28619
KEGG: Compound ID   C09017
CAS Registry IDs:   17598-02-6
PDB Chemical Component   n/a
Miscellaneous Databases and IDs:   CAS 17598-02-6   MMCD cq_05693   EINECS 241-566-0   Beilstein Handbook Reference 5-17-04-00270   ChemIDplus 017598026   NIST Chemistry WebBook 3313435025   NIST 3313435025

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.