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
- 17555
- Core Entity Id
- 22684
- Source Entity Count
- 1
- Preferred Name
- Dorsmanin d
- Name En
- Pubchem Id
- 10599726
- Smiles Canonical
- CC(=CCC1=C(C(=C2C(=C1O)C(=O)C(=C(O2)C3=CC(=C(C=C3)O)OC)O)CC=C(C)C)O)C
- Molecular Formula
- C26H28O7
- Molecular Weight
- 452.5030
- Inchikey
- YRKLNCSPCWVPPC-UHFFFAOYSA-N
- Inchi
- InChI=1S/C26H28O7/c1-13(2)6-9-16-21(28)17(10-7-14(3)4)26-20(22(16)29)23(30)24(31)25(33-26)15-8-11-18(27)19(12-15)32-5/h6-8,11-12,27-29,31H,9-10H2,1-5H3
- Isomeric Smiles
- CC(=CCC1=C(C(=C2C(=C1O)C(=O)C(=C(O2)C3=CC(=C(C=C3)O)OC)O)CC=C(C)C)O)C
- Cas Id
- Ob Score
- Mol Logp
- 5.3084
- Num H Donors
- 4
- Num H Acceptors
- 7
- Num Rotatable Bonds
- 6
- Drug Likeness
- 0.3740
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Dorsmanin D
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Dorsmanin d
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Dorsmanin d
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
曼尼多坦草
Role
TCM_name
Source
TCMBank
Preferred
No
Name
MAN NI DUO TAN CAO
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
211255-16-2
Role
alias
Source
itcmdb_public
Preferred
No
Name
211255-16-2
Role
alias
Source
HERB_v2
Preferred
No
Name
3,5,7-trihydroxy-2-(4-hydroxy-3-methoxy-phenyl)-6,8-bis(3-methylbut-2-enyl)chromen-4-one
Role
alias
Source
HERB_v2
Preferred
No
Name
3,5,7-trihydroxy-2-(4-hydroxy-3-methoxy-phenyl)-6,8-bis(3-methylbut-2-enyl)chromen-4-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
LMPK12112395
Role
alias
Source
HERB_v2
Preferred
No
Name
LMPK12112395
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
曼尼多坦草MAN NI DUO TAN CAO211255-16-23,5,7-trihydroxy-2-(4-hydroxy-3-methoxy-phenyl)-6,8-bis(3-methylbut-2-enyl)chromen-4-oneLMPK12112395
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN024427
Npass
NPC124737
Tcmid
6563
Pub Chem
10599726
Tcmbank
TCMBANKIN048789
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C26H28O7/c1-13(2)6-9-16-21(28)17(10-7-14(3)4)26-20(22(16)29)23(30)24(31)25(33-26)15-8-11-18(27)19(12-15)32-5/h6-8,11-12,27-29,31H,9-10H2,1-5H3
Mol Wt
452.5030000000002
Mol Log P
5.308400000000005
In Ch Ikey
YRKLNCSPCWVPPC-UHFFFAOYSA-N
Tcm Name
曼尼多坦草
Tcm Name2
MAN NI DUO TAN CAO
Mol2 Path
/TCM_database/2007_3d_all/06564.mol2
Reference
5116
Num Hdonors
4
Drug Likeness
0.374
Num Hacceptors
7
Isomeric Smiles
CC(=CCC1=C(C(=C2C(=C1O)C(=O)C(=C(O2)C3=CC(=C(C=C3)O)OC)O)CC=C(C)C)O)C
Canonical Smiles
CC(=CCC1=C(C(=C2C(=C1O)C(=O)C(=C(O2)C3=CC(=C(C=C3)O)OC)O)CC=C(C)C)O)C
Herb Alias Names
LMPK121123953,5,7-trihydroxy-2-(4-hydroxy-3-methoxy-phenyl)-6,8-bis(3-methylbut-2-enyl)chromen-4-one3,5,7-trihydroxy-2-(4-hydroxy-3-methoxyphenyl)-6,8-bis(3-methylbut-2-enyl)chromen-4-one211255-16-2
Molecular Weight
452.5 g/mol
Molecular Formula
C26H28O7
Num Rotatable Bonds
6