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
- 13940
- Core Entity Id
- 18663
- Source Entity Count
- 1
- Preferred Name
- Cauliflorin b
- Name En
- Pubchem Id
- 12993003
- Smiles Canonical
- COC1=C(OC2=C(C1=O)C=CC3=C2C=CO3)C4=CC(=CC=C4)O
- Molecular Formula
- C18H12O5
- Molecular Weight
- 308.2890
- Inchikey
- UZSPMXJCKBIRIH-UHFFFAOYSA-N
- Inchi
- InChI=1S/C18H12O5/c1-21-18-15(20)13-5-6-14-12(7-8-22-14)17(13)23-16(18)10-3-2-4-11(19)9-10/h2-9,19H,1H3
- Isomeric Smiles
- COC1=C(OC2=C(C1=O)C=CC3=C2C=CO3)C4=CC(=CC=C4)O
- Cas Id
- Ob Score
- Mol Logp
- 3.9204
- Num H Donors
- 1
- Num H Acceptors
- 5
- Num Rotatable Bonds
- 2
- Drug Likeness
- 0.6070
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Cauliflorin B
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Cauliflorin B
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Cauliflorin b
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Cauliflorin b
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
水流豆
Role
TCM_name
Source
TCMBank
Preferred
No
Name
SHUI LIU DOU
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Poplar-leaf Argyreia*
Role
TCM_name_en
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
水流豆SHUI LIU DOUPoplar-leaf Argyreia*
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN019973
Tcmid
3335
Pub Chem
12993003
Tcmbank
TCMBANKIN039853
Etcm Ingredient
Cauliflorin B
Itcmdb Generated
ITX-INGREDIENT-2525A2C8651E
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C18H12O5/c1-21-18-15(20)13-5-6-14-12(7-8-22-14)17(13)23-16(18)10-3-2-4-11(19)9-10/h2-9,19H,1H3
Mol Wt
308.289
Mol Log P
3.920400000000002
In Ch Ikey
UZSPMXJCKBIRIH-UHFFFAOYSA-N
Tcm Name
水流豆
Tcm Name2
SHUI LIU DOU
Mol2 Path
/TCM_database/2007_3d_all/03335.mol2
Reference
2456, 3767
Num Hdonors
1
Tcm Name En
Poplar-leaf Argyreia*
Drug Likeness
0.607
Num Hacceptors
5
Isomeric Smiles
COC1=C(OC2=C(C1=O)C=CC3=C2C=CO3)C4=CC(=CC=C4)O
Canonical Smiles
COC1=C(OC2=C(C1=O)C=CC3=C2C=CO3)C4=CC(=CC=C4)O
Molecular Weight
308.070
Molecular Formula
C18H12O5
Molecular Formula
C18H12O5
Num Rotatable Bonds
2
Fda Maximum Daily Dose (Fdamdd)
0.177
Quantitative Estimate Of Drug Likeness（Qed）
0.607