Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 12Ingredient: 1Target: 4Links: 16
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 14334
- Core Entity Id
- 19099
- Source Entity Count
- 1
- Preferred Name
- Chrysanthemol
- Name En
- Pubchem Id
- 110685
- Smiles Canonical
- CC(=CC1C(C1(C)C)CO)C
- Molecular Formula
- C10H18O
- Molecular Weight
- 154.2530
- Inchikey
- HIPIENNKVJCMAP-UHFFFAOYSA-N
- Inchi
- InChI=1S/C10H18O/c1-7(2)5-8-9(6-11)10(8,3)4/h5,8-9,11H,6H2,1-4H3
- Isomeric Smiles
- CC(=CC1C(C1(C)C)CO)C
- Cas Id
- Ob Score
- Mol Logp
- 2.2171
- Num H Donors
- 1
- Num H Acceptors
- 1
- Num Rotatable Bonds
- 2
- Drug Likeness
- 0.6050
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Chrysanthemol
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Chrysanthemol
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Chrysanthemol
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Chrysanthemol
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
chrysanthemol
Role
preferred
Source
TCMBank
Preferred
Yes
Name
(+)-Chrysanthemol[terpene]
Role
alias
Source
TCMBank
Preferred
No
Name
2,2-Dimethyl-3-(2-methylpropenyl)cyclopropanemethanol
Role
alias
Source
itcmdb_public
Preferred
No
Name
2,2-Dimethyl-3-(2-methylpropenyl)cyclopropanemethanol
Role
alias
Source
HERB_v2
Preferred
No
Name
5617-92-5
Role
alias
Source
HERB_v2
Preferred
No
Name
5617-92-5
Role
alias
Source
itcmdb_public
Preferred
No
Name
AI3-20836
Role
alias
Source
HERB_v2
Preferred
No
Name
AI3-20836
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEBI:81217
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEBI:81217
Role
alias
Source
HERB_v2
Preferred
No
Name
Chrysanthemyl alcohol
Role
alias
Source
HERB_v2
Preferred
No
Name
Chrysanthemyl alcohol
Role
alias
Source
itcmdb_public
Preferred
No
Name
EINECS 227-045-0
Role
alias
Source
HERB_v2
Preferred
No
Name
EINECS 227-045-0
Role
alias
Source
itcmdb_public
Preferred
No
Name
MolPort-044-723-367
Role
alias
Source
TCMBank
Preferred
No
Name
R52DEG7BXK
Role
alias
Source
itcmdb_public
Preferred
No
Name
R52DEG7BXK
Role
alias
Source
HERB_v2
Preferred
No
Name
ZINC15208543
Role
alias
Source
TCMBank
Preferred
No
Name
[2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropyl]methanol
Role
alias
Source
itcmdb_public
Preferred
No
Name
[2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropyl]methanol
Role
alias
Source
HERB_v2
Preferred
No
Name
chrysanthemol
Role
alias
Source
TCMBank
Preferred
No
Name
trans-Chrysanthemyl alcohol
Role
alias
Source
HERB_v2
Preferred
No
Name
trans-Chrysanthemyl alcohol
Role
alias
Source
itcmdb_public
Preferred
No
Name
[(1S,3S)-2,2-Dimethyl-3-(2-Methylprop-1-Enyl)Cyclopropyl]Methanol
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
[(1S,3S)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropyl]methanol
Role
preferred
Source
TCMBank
Preferred
Yes
Name
[(1s,3s)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropyl]methanol
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
(+/-)-trans-Chrysanthemyl alcohol
Role
alias
Source
itcmdb_public
Preferred
No
Name
18383-58-9
Role
alias
Source
HERB_v2
Preferred
No
Name
5H7RGL82B6
Role
alias
Source
itcmdb_public
Preferred
No
Name
C5M4WX8TLM
Role
alias
Source
itcmdb_public
Preferred
No
Name
Chrysanthemol, (1S,3S)-
Role
alias
Source
itcmdb_public
Preferred
No
Name
Chrysanthemol, trans-
Role
alias
Source
HERB_v2
Preferred
No
Name
ZINC01656185
Role
alias
Source
TCMBank
Preferred
No
Name
trans-Chrysanthemol
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
(+)-Chrysanthemol[terpene]2,2-Dimethyl-3-(2-methylpropenyl)cyclopropanemethanol5617-92-5AI3-20836CHEBI:81217Chrysanthemyl alcoholEINECS 227-045-0MolPort-044-723-367R52DEG7BXKZINC15208543[2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropyl]methanoltrans-Chrysanthemyl alcohol[(1S,3S)-2,2-Dimethyl-3-(2-Methylprop-1-Enyl)Cyclopropyl]Methanol(+/-)-trans-Chrysanthemyl alcohol18383-58-95H7RGL82B6C5M4WX8TLMChrysanthemol, (1S,3S)-Chrysanthemol, trans-ZINC01656185trans-Chrysanthemol
Cross References
Trusted external identifiers retained for this final record.
Cas
5617-92-5
Herb
HBIN020430HBIN003251
Npass
NPC62755
Tcmid
3595
Tcmsp
MOL008920
Sym Map
SMIT14655SMIT10127
Tcm Id
19771
Pub Chem
1106856993677
Tcmbank
TCMBANKIN013955TCMBANKIN001038
Etcm Ingredient
Chrysanthemol
Itcmdb Generated
ITX-INGREDIENT-94C763C338C5
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C10H18O/c1-7(2)5-8-9(6-11)10(8,3)4/h5,8-9,11H,6H2,1-4H3
Mol Wt
154.253
Smiles
CC(=CC1C(C1(C)C)CO)C
Mol Log P
2.2171
Version
v1,v2
In Ch Ikey
HIPIENNKVJCMAP-UHFFFAOYSA-N
Suppress
0
Num Hdonors
1
Drug Likeness
0.605
Num Hacceptors
1
Isomeric Smiles
CC(=CC1C(C1(C)C)CO)C
Molecule Weight
154.28
Canonical Smiles
CC(=CC1C(C1(C)C)CO)C
Herb Alias Names
Chrysanthemyl alcohol5617-92-5trans-Chrysanthemyl alcohol2,2-Dimethyl-3-(2-methylpropenyl)cyclopropanemethanol[2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropyl]methanolEINECS 227-045-0R52DEG7BXKAI3-20836CHEBI:81217
Molecular Weight
238.190
Molecular Weight
154.25 g/mol
Molecule Formula
C15H26O2
Molecular Formula
C15H26O2
Molecular Formula
C10H18O
Molecular Formula
C10H18O
Num Rotatable Bonds
2
Fda Maximum Daily Dose (Fdamdd)
0.802
Quantitative Estimate Of Drug Likeness（Qed）
0.690