Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
Click a node to open it in a new tab
Herb: 2Ingredient: 1Links: 2
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 3629
- Core Entity Id
- 7220
- Source Entity Count
- 1
- Preferred Name
- 3,6-dihydro-4-methyl-2-(2-methyl-1-propenyl)-2h-pyran
- Name En
- Pubchem Id
- 61275
- Smiles Canonical
- CC1=CCOC(C1)C=C(C)C
- Molecular Formula
- C10H16O
- Molecular Weight
- 152.2370
- Inchikey
- FRISMOQHTLZZRP-UHFFFAOYSA-N
- Inchi
- InChI=1S/C10H16O/c1-8(2)6-10-7-9(3)4-5-11-10/h4,6,10H,5,7H2,1-3H3
- Isomeric Smiles
- CC1=CCOC(C1)C=C(C)C
- Cas Id
- Ob Score
- Mol Logp
- 2.6878
- Num H Donors
- 0
- Num H Acceptors
- 1
- Num Rotatable Bonds
- 1
- Drug Likeness
- 0.5250
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
3,6-dihydro-4-methyl-2-(2-methyl-1-propenyl)-2H-pyran
Role
preferred
Source
TCMBank
Preferred
Yes
Name
3,6-dihydro-4-methyl-2-(2-methyl-1-propenyl)-2h-pyran
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
3,6-dihydro-4-methyl-2-(2-methyl-1-propenyl)-2h-pyran
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
1786-08-9
Role
alias
Source
itcmdb_public
Preferred
No
Name
1786-08-9
Role
alias
Source
HERB_v2
Preferred
No
Name
2H-Pyran, 3,6-dihydro-4-methyl-2-(2-methyl-1-propen-1-yl)-
Role
alias
Source
itcmdb_public
Preferred
No
Name
2H-Pyran, 3,6-dihydro-4-methyl-2-(2-methyl-1-propen-1-yl)-
Role
alias
Source
HERB_v2
Preferred
No
Name
2H-Pyran, 3,6-dihydro-4-methyl-2-(2-methyl-1-propenyl)-
Role
alias
Source
itcmdb_public
Preferred
No
Name
2H-Pyran, 3,6-dihydro-4-methyl-2-(2-methyl-1-propenyl)-
Role
alias
Source
HERB_v2
Preferred
No
Name
3,6-Dihydro-4-methyl-2-(2-methylpropenyl)-2H-pyran
Role
alias
Source
itcmdb_public
Preferred
No
Name
3,6-Dihydro-4-methyl-2-(2-methylpropenyl)-2H-pyran
Role
alias
Source
HERB_v2
Preferred
No
Name
4-methyl-2-(2-methylprop-1-en-1-yl)-3,6-dihydro-2H-pyran
Role
alias
Source
HERB_v2
Preferred
No
Name
4-methyl-2-(2-methylprop-1-en-1-yl)-3,6-dihydro-2H-pyran
Role
alias
Source
itcmdb_public
Preferred
No
Name
4-methyl-2-(2-methylprop-1-enyl)-3,6-dihydro-2H-pyran
Role
alias
Source
HERB_v2
Preferred
No
Name
4-methyl-2-(2-methylprop-1-enyl)-3,6-dihydro-2H-pyran
Role
alias
Source
itcmdb_public
Preferred
No
Name
FEMA No. 3661
Role
alias
Source
HERB_v2
Preferred
No
Name
FEMA No. 3661
Role
alias
Source
itcmdb_public
Preferred
No
Name
Nerol oxide
Role
alias
Source
HERB_v2
Preferred
No
Name
Nerol oxide
Role
alias
Source
itcmdb_public
Preferred
No
Name
Neryl oxide
Role
alias
Source
HERB_v2
Preferred
No
Name
Neryl oxide
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
1786-08-92H-Pyran, 3,6-dihydro-4-methyl-2-(2-methyl-1-propen-1-yl)-2H-Pyran, 3,6-dihydro-4-methyl-2-(2-methyl-1-propenyl)-3,6-Dihydro-4-methyl-2-(2-methylpropenyl)-2H-pyran4-methyl-2-(2-methylprop-1-en-1-yl)-3,6-dihydro-2H-pyran4-methyl-2-(2-methylprop-1-enyl)-3,6-dihydro-2H-pyranFEMA No. 3661Nerol oxideNeryl oxide
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN007711HBIN036811
Npass
NPC197508
Tcmid
3337140614
Pub Chem
61275
Tcmbank
TCMBANKIN060038
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C10H16O/c1-8(2)6-10-7-9(3)4-5-11-10/h4,6,10H,5,7H2,1-3H3
Mol Wt
152.237
Smiles
CC1=CCOC(C1)C=C(C)C
Mol Log P
2.687800000000001
In Ch Ikey
FRISMOQHTLZZRP-UHFFFAOYSA-N
Num Hdonors
0
Drug Likeness
0.525
Num Hacceptors
1
Isomeric Smiles
CC1=CCOC(C1)C=C(C)C
Canonical Smiles
CC1=CCOC(C1)C=C(C)C
Herb Alias Names
Nerol oxide1786-08-94-methyl-2-(2-methylprop-1-enyl)-3,6-dihydro-2H-pyran2H-Pyran, 3,6-dihydro-4-methyl-2-(2-methyl-1-propenyl)-FEMA No. 36612H-Pyran, 3,6-dihydro-4-methyl-2-(2-methyl-1-propen-1-yl)-Neryl oxide4-methyl-2-(2-methylprop-1-en-1-yl)-3,6-dihydro-2H-pyran3,6-Dihydro-4-methyl-2-(2-methylpropenyl)-2H-pyran
Molecular Weight
152.23 g/mol
Molecular Formula
C10H16O
Molecular Formula
C10H16O
Num Rotatable Bonds
1