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
- 13197
- Core Entity Id
- 17837
- Source Entity Count
- 1
- Preferred Name
- Burttinol b
- Name En
- Pubchem Id
- 101177416
- Smiles Canonical
- CC1(C=CC2=C(O1)C=CC3=C2OCC=C3C4=C(C=C(C=C4)O)OC)C
- Molecular Formula
- C21H20O4
- Molecular Weight
- 336.3870
- Inchikey
- IIMQPWGEANYNIW-UHFFFAOYSA-N
- Inchi
- InChI=1S/C21H20O4/c1-21(2)10-8-17-18(25-21)7-6-16-14(9-11-24-20(16)17)15-5-4-13(22)12-19(15)23-3/h4-10,12,22H,11H2,1-3H3
- Isomeric Smiles
- CC1(C=CC2=C(O1)C=CC3=C2OCC=C3C4=C(C=C(C=C4)O)OC)C
- Cas Id
- Ob Score
- Mol Logp
- 4.4091
- Num H Donors
- 1
- Num H Acceptors
- 4
- Num Rotatable Bonds
- 2
- Drug Likeness
- 0.8820
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Burttinol B
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Burttinol b
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Burttinol b
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
山地刺桐
Role
TCM_name
Source
TCMBank
Preferred
No
Name
SHAN DI CI TONG
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Mountain Immortelle
Role
TCM_name_en
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
山地刺桐SHAN DI CI TONGMountain Immortelle
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN019058
Tcmid
2771
Pub Chem
101177416
Tcmbank
TCMBANKIN040913
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C21H20O4/c1-21(2)10-8-17-18(25-21)7-6-16-14(9-11-24-20(16)17)15-5-4-13(22)12-19(15)23-3/h4-10,12,22H,11H2,1-3H3
Mol Wt
336.3870000000001
Mol Log P
4.409100000000004
In Ch Ikey
IIMQPWGEANYNIW-UHFFFAOYSA-N
Tcm Name
山地刺桐
Tcm Name2
SHAN DI CI TONG
Mol2 Path
/TCM_database/2007_3d_all/02771.mol2
Reference
1972, 1986
Num Hdonors
1
Tcm Name En
Mountain Immortelle
Drug Likeness
0.882
Num Hacceptors
4
Isomeric Smiles
CC1(C=CC2=C(O1)C=CC3=C2OCC=C3C4=C(C=C(C=C4)O)OC)C
Canonical Smiles
CC1(C=CC2=C(O1)C=CC3=C2OCC=C3C4=C(C=C(C=C4)O)OC)C
Molecular Weight
336.4 g/mol
Molecular Formula
C21H20O4
Num Rotatable Bonds
2