Relationship Network
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Herb: 2Ingredient: 1Links: 2
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 2188
- Core Entity Id
- 5620
- Source Entity Count
- 1
- Preferred Name
- 2-methyl-6-methylene-2,7-octadienol
- Name En
- Pubchem Id
- 518947
- Smiles Canonical
- CC(=CCCC(=C)C=C)CO
- Molecular Formula
- C10H16O
- Molecular Weight
- 152.2370
- Inchikey
- IEVYLQISZQFFGA-UHFFFAOYSA-N
- Inchi
- InChI=1S/C10H16O/c1-4-9(2)6-5-7-10(3)8-11/h4,7,11H,1-2,5-6,8H2,3H3
- Isomeric Smiles
- CC(=CCCC(=C)C=C)CO
- Cas Id
- Ob Score
- Mol Logp
- 2.4474
- Num H Donors
- 1
- Num H Acceptors
- 1
- Num Rotatable Bonds
- 5
- Drug Likeness
- 0.4740
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
2-Methyl-6-methylene-2,7-octadienol
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
2-methyl-6-methylene-2,7-octadienol
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
2-methyl-6-methylene-2,7-octadienol
Role
preferred
Source
TCMBank
Preferred
Yes
Name
2-methyl-6-methylene-2,7-octadienol
Role
preferred
Source
itcmdb_public
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN006013
Tcmid
14589
Pub Chem
518947
Tcmbank
TCMBANKIN012558
Etcm Ingredient
2-Methyl-6-methylene-2,7-octadienol
Itcmdb Generated
ITX-INGREDIENT-AFF494418D90
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C10H16O/c1-4-9(2)6-5-7-10(3)8-11/h4,7,11H,1-2,5-6,8H2,3H3
Mol Wt
152.237
Smiles
CC(=CCCC(=C)C=C)CO
Mol Log P
2.4474
In Ch Ikey
IEVYLQISZQFFGA-UHFFFAOYSA-N
Num Hdonors
1
Drug Likeness
0.474
Num Hacceptors
1
Isomeric Smiles
CC(=CCCC(=C)C=C)CO
Canonical Smiles
CC(=CCCC(=C)C=C)CO
Molecular Weight
152.120
Molecular Weight
152.23 g/mol
Molecular Formula
C10H16O
Molecular Formula
C10H16O
Molecular Formula
C10H16O
Num Rotatable Bonds
5
Fda Maximum Daily Dose (Fdamdd)
0.631
Quantitative Estimate Of Drug Likeness（Qed）
0.474