Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 2Ingredient: 1Links: 2
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 2054
- Core Entity Id
- 5472
- Source Entity Count
- 1
- Preferred Name
- 2-isopropenyl-5-methylhexa-trans-3,5-dien-1-ol
- Name En
- Pubchem Id
- 5318632
- Smiles Canonical
- CC(=C)C=CC(CO)C(=C)C
- Molecular Formula
- C10H16O
- Molecular Weight
- 152.2370
- Inchikey
- KBVFHOKBXAUWHI-AATRIKPKSA-N
- Inchi
- InChI=1S/C10H16O/c1-8(2)5-6-10(7-11)9(3)4/h5-6,10-11H,1,3,7H2,2,4H3/b6-5+
- Isomeric Smiles
- CC(=C)/C=C/C(CO)C(=C)C
- Cas Id
- Ob Score
- Mol Logp
- 2.3033
- Num H Donors
- 1
- Num H Acceptors
- 1
- Num Rotatable Bonds
- 4
- Drug Likeness
- 0.4840
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
2-isopropenyl-5-methylhexa-trans-3,5-dien-1-ol
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
2-isopropenyl-5-methylhexa-trans-3,5-dien-1-ol
Role
preferred
Source
TCMBank
Preferred
Yes
Name
2-isopropenyl-5-methylhexa-trans-3,5-dien-1-ol
Role
preferred
Source
itcmdb_public
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN005845
Npass
NPC235744
Tcmid
11612
Pub Chem
5318632
Tcmbank
TCMBANKIN042770
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C10H16O/c1-8(2)5-6-10(7-11)9(3)4/h5-6,10-11H,1,3,7H2,2,4H3/b6-5+
Mol Wt
152.237
Smiles
CC(=C)C=CC(CO)C(=C)C
Mol Log P
2.3033
In Ch Ikey
KBVFHOKBXAUWHI-AATRIKPKSA-N
Mol2 Path
/TCM_database/2007_3d_all/11615.mol2
Reference
1980
Num Hdonors
1
Drug Likeness
0.484
Num Hacceptors
1
Isomeric Smiles
CC(=C)/C=C/C(CO)C(=C)C
Canonical Smiles
CC(=C)C=CC(CO)C(=C)C
Molecular Formula
C10H16O
Molecular Formula
C10H16O
Num Rotatable Bonds
4