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
- 13199
- Core Entity Id
- 17839
- Source Entity Count
- 1
- Preferred Name
- Burttinol d
- Name En
- Pubchem Id
- 5315559
- Smiles Canonical
- CC(C)(C=C)C1=C(C=C2C(=C1)C=C(O2)C3=C(C=C(C=C3)O)OC)O
- Molecular Formula
- C20H20O4
- Molecular Weight
- 324.3760
- Inchikey
- XPOHPQRMFCBMHO-UHFFFAOYSA-N
- Inchi
- InChI=1S/C20H20O4/c1-5-20(2,3)15-8-12-9-19(24-17(12)11-16(15)22)14-7-6-13(21)10-18(14)23-4/h5-11,21-22H,1H2,2-4H3
- Isomeric Smiles
- CC(C)(C=C)C1=C(C=C2C(=C1)C=C(O2)C3=C(C=C(C=C3)O)OC)O
- Cas Id
- Ob Score
- Mol Logp
- 4.9832
- Num H Donors
- 2
- Num H Acceptors
- 4
- Num Rotatable Bonds
- 4
- Drug Likeness
- 0.6640
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Burttinol D
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Burttinol d
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Burttinol d
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
肯尼亚刺桐
Role
TCM_name
Source
TCMBank
Preferred
No
Name
KEN NI YA CI TONG
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Kenya Coralbean*
Role
TCM_name_en
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
肯尼亚刺桐KEN NI YA CI TONGKenya Coralbean*
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN019060
Npass
NPC178028
Tcmid
2773
Pub Chem
5315559
Tcmbank
TCMBANKIN041263
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C20H20O4/c1-5-20(2,3)15-8-12-9-19(24-17(12)11-16(15)22)14-7-6-13(21)10-18(14)23-4/h5-11,21-22H,1H2,2-4H3
Mol Wt
324.376
Mol Log P
4.983200000000005
In Ch Ikey
XPOHPQRMFCBMHO-UHFFFAOYSA-N
Tcm Name
肯尼亚刺桐
Tcm Name2
KEN NI YA CI TONG
Mol2 Path
/TCM_database/2007_3d_all/02773.mol2
Reference
1986
Num Hdonors
2
Tcm Name En
Kenya Coralbean*
Drug Likeness
0.664
Num Hacceptors
4
Isomeric Smiles
CC(C)(C=C)C1=C(C=C2C(=C1)C=C(O2)C3=C(C=C(C=C3)O)OC)O
Canonical Smiles
CC(C)(C=C)C1=C(C=C2C(=C1)C=C(O2)C3=C(C=C(C=C3)O)OC)O
Molecular Weight
324.4 g/mol
Molecular Formula
C20H20O4
Num Rotatable Bonds
4