Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Links: 1
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 6015
- Core Entity Id
- 9869
- Source Entity Count
- 1
- Preferred Name
- 4-hydroxy-2-isopropenyl-5-methylene-hexan-1-ol
- Name En
- Pubchem Id
- 5479111
- Smiles Canonical
- CC(=C)C(CC(C(=C)C)O)CO
- Molecular Formula
- C10H18O2
- Molecular Weight
- 170.2520
- Inchikey
- GVGCIKKRNRWACL-NXEZZACHSA-N
- Inchi
- InChI=1S/C10H18O2/c1-7(2)9(6-11)5-10(12)8(3)4/h9-12H,1,3,5-6H2,2,4H3/t9-,10-/m1/s1
- Isomeric Smiles
- CC(=C)[C@H](C[C@H](C(=C)C)O)CO
- Cas Id
- Ob Score
- Mol Logp
- 1.4981
- Num H Donors
- 2
- Num H Acceptors
- 2
- Num Rotatable Bonds
- 5
- Drug Likeness
- 0.6140
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
4-Hydroxy-2-isopropenyl-5-methylene-hexan-1-ol
Role
preferred
Source
TCMBank
Preferred
Yes
Name
4-Hydroxy-2-isopropenyl-5-methylene-hexan-1-ol
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
4-hydroxy-2-isopropenyl-5-methylene-hexan-1-ol
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
4-hydroxy-2-isopropenyl-5-methylene-hexan-1-ol
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
黄花蒿
Role
TCM_name
Source
TCMBank
Preferred
No
Name
HUANG HUA HAO
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Sweet Wormwood
Role
TCM_name_en
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
黄花蒿HUANG HUA HAOSweet Wormwood
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN010452
Npass
NPC306726
Tcmid
10260
Pub Chem
5479111
Tcmbank
TCMBANKIN043107
Etcm Ingredient
4-Hydroxy-2-isopropenyl-5-methylene-hexan-1-ol
Itcmdb Generated
ITX-INGREDIENT-E8F4A352FDB8
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C10H18O2/c1-7(2)9(6-11)5-10(12)8(3)4/h9-12H,1,3,5-6H2,2,4H3/t9-,10-/m1/s1
Mol Wt
170.252
Mol Log P
1.4981
In Ch Ikey
GVGCIKKRNRWACL-NXEZZACHSA-N
Tcm Name
黄花蒿
Tcm Name2
HUANG HUA HAO
Mol2 Path
/TCM_database/2007_3d_all/10261.mol2
Reference
3435
Num Hdonors
2
Tcm Name En
Sweet Wormwood
Drug Likeness
0.614
Num Hacceptors
2
Isomeric Smiles
CC(=C)[C@H](C[C@H](C(=C)C)O)CO
Canonical Smiles
CC(=C)C(CC(C(=C)C)O)CO
Molecular Weight
170.130
Molecular Formula
C10H18O2
Molecular Formula
C10H18O2
Num Rotatable Bonds
5
Fda Maximum Daily Dose (Fdamdd)
0.939
Quantitative Estimate Of Drug Likeness（Qed）
0.614