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
- 14330
- Core Entity Id
- 19095
- Source Entity Count
- 1
- Preferred Name
- Chrysanthemal
- Name En
- Pubchem Id
- 6432223
- Smiles Canonical
- CC(=CC1C(C1(C)C)C=O)C
- Molecular Formula
- C10H16O
- Molecular Weight
- 152.2370
- Inchikey
- NQLKPDBZZUIQGM-RKDXNWHRSA-N
- Inchi
- InChI=1S/C10H16O/c1-7(2)5-8-9(6-11)10(8,3)4/h5-6,8-9H,1-4H3/t8-,9-/m1/s1
- Isomeric Smiles
- CC(=C[C@@H]1[C@H](C1(C)C)C=O)C
- Cas Id
- Ob Score
- Mol Logp
- 2.4237
- Num H Donors
- 0
- Num H Acceptors
- 1
- Num Rotatable Bonds
- 2
- Drug Likeness
- 0.4380
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Chrysanthemal
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Chrysanthemal
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Chrysanthemal
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
黏蒿
Role
TCM_name
Source
TCMBank
Preferred
No
Name
NIAN HAO
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Viscid Wormwood*
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
(1R,3R)-2,2-dimethyl-3-(2-methylprop-1-en-1-yl)cyclopropanecarbaldehyde
Role
alias
Source
itcmdb_public
Preferred
No
Name
(1R,3R)-2,2-dimethyl-3-(2-methylprop-1-en-1-yl)cyclopropanecarbaldehyde
Role
alias
Source
HERB_v2
Preferred
No
Name
(1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carbaldehyde
Role
alias
Source
HERB_v2
Preferred
No
Name
(1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carbaldehyde
Role
alias
Source
itcmdb_public
Preferred
No
Name
(1R,3R)-chrysanthemal
Role
alias
Source
itcmdb_public
Preferred
No
Name
(1R,3R)-chrysanthemal
Role
alias
Source
HERB_v2
Preferred
No
Name
(R,R)-chrysanthemal
Role
alias
Source
HERB_v2
Preferred
No
Name
(R,R)-chrysanthemal
Role
alias
Source
itcmdb_public
Preferred
No
Name
2,2-Dimethyl-3-(2-methyl-1-propenyl)cyclopropanecarbaldehyde
Role
alias
Source
itcmdb_public
Preferred
No
Name
2,2-Dimethyl-3-(2-methyl-1-propenyl)cyclopropanecarbaldehyde #
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEBI:143899
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEBI:143899
Role
alias
Source
itcmdb_public
Preferred
No
Name
NQLKPDBZZUIQGM-RKDXNWHRSA-N
Role
alias
Source
itcmdb_public
Preferred
No
Name
NQLKPDBZZUIQGM-RKDXNWHRSA-N
Role
alias
Source
HERB_v2
Preferred
No
Name
trans-Chrysanthemal
Role
alias
Source
HERB_v2
Preferred
No
Name
trans-Chrysanthemal
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
黏蒿NIAN HAOViscid Wormwood*(1R,3R)-2,2-dimethyl-3-(2-methylprop-1-en-1-yl)cyclopropanecarbaldehyde(1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carbaldehyde(1R,3R)-chrysanthemal(R,R)-chrysanthemal2,2-Dimethyl-3-(2-methyl-1-propenyl)cyclopropanecarbaldehyde2,2-Dimethyl-3-(2-methyl-1-propenyl)cyclopropanecarbaldehyde #CHEBI:143899NQLKPDBZZUIQGM-RKDXNWHRSA-Ntrans-Chrysanthemal
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN020426
Npass
NPC87421
Tcmid
3591
Pub Chem
6432223
Tcmbank
TCMBANKIN049070
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C10H16O/c1-7(2)5-8-9(6-11)10(8,3)4/h5-6,8-9H,1-4H3/t8-,9-/m1/s1
Mol Wt
152.237
Mol Log P
2.4237
In Ch Ikey
NQLKPDBZZUIQGM-RKDXNWHRSA-N
Tcm Name
黏蒿
Tcm Name2
NIAN HAO
Mol2 Path
/TCM_database/2007_3d_all/03591.mol2
Reference
1980
Num Hdonors
0
Tcm Name En
Viscid Wormwood*
Drug Likeness
0.438
Num Hacceptors
1
Isomeric Smiles
CC(=C[C@@H]1[C@H](C1(C)C)C=O)C
Canonical Smiles
CC(=CC1C(C1(C)C)C=O)C
Herb Alias Names
trans-Chrysanthemal(R,R)-chrysanthemal(1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carbaldehyde(1R,3R)-chrysanthemal2,2-Dimethyl-3-(2-methyl-1-propenyl)cyclopropanecarbaldehyde #CHEBI:143899NQLKPDBZZUIQGM-RKDXNWHRSA-N2,2-Dimethyl-3-(2-methyl-1-propenyl)cyclopropanecarbaldehyde(1R,3R)-2,2-dimethyl-3-(2-methylprop-1-en-1-yl)cyclopropanecarbaldehyde
Molecular Formula
C10H16O
Num Rotatable Bonds
2