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
- 32680
- Core Entity Id
- 39517
- Source Entity Count
- 1
- Preferred Name
- Sauriol b
- Name En
- Pubchem Id
- 15965508
- Smiles Canonical
- CC(CC1=CC(=C(C(=C1)OC)O)O)C(C)CC2=CC(=C(C(=C2)OC)O)OC
- Molecular Formula
- C21H28O6
- Molecular Weight
- 376.4490
- Inchikey
- OAHJZEWASFRGKJ-CHWSQXEVSA-N
- Inchi
- InChI=1S/C21H28O6/c1-12(6-14-8-16(22)20(23)17(9-14)25-3)13(2)7-15-10-18(26-4)21(24)19(11-15)27-5/h8-13,22-24H,6-7H2,1-5H3/t12-,13-/m1/s1
- Isomeric Smiles
- C[C@H](CC1=CC(=C(C(=C1)OC)O)O)[C@H](C)CC2=CC(=C(C(=C2)OC)O)OC
- Cas Id
- Ob Score
- Mol Logp
- 3.8866
- Num H Donors
- 3
- Num H Acceptors
- 6
- Num Rotatable Bonds
- 8
- Drug Likeness
- 0.6060
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Sauriol B
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Sauriol b
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Sauriol b
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
梅州三白草
Role
TCM_name
Source
TCMBank
Preferred
No
Name
MEI ZHOU SAN BAI CAO
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Lizard’s-tail
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
289497-20-7
Role
alias
Source
itcmdb_public
Preferred
No
Name
289497-20-7
Role
alias
Source
HERB_v2
Preferred
No
Name
5-[(2R,3R)-4-(4-hydroxy-3,5-dimethoxyphenyl)-2,3-dimethylbutyl]-3-methoxybenzene-1,2-diol
Role
alias
Source
itcmdb_public
Preferred
No
Name
5-[(2R,3R)-4-(4-hydroxy-3,5-dimethoxyphenyl)-2,3-dimethylbutyl]-3-methoxybenzene-1,2-diol
Role
alias
Source
HERB_v2
Preferred
No
Aliases
Additional names normalized into the restored final schema.
梅州三白草MEI ZHOU SAN BAI CAOLizard’s-tail289497-20-75-[(2R,3R)-4-(4-hydroxy-3,5-dimethoxyphenyl)-2,3-dimethylbutyl]-3-methoxybenzene-1,2-diol
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN043232
Npass
NPC194212
Tcmid
19401
Pub Chem
15965508
Tcmbank
TCMBANKIN041376
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C21H28O6/c1-12(6-14-8-16(22)20(23)17(9-14)25-3)13(2)7-15-10-18(26-4)21(24)19(11-15)27-5/h8-13,22-24H,6-7H2,1-5H3/t12-,13-/m1/s1
Mol Wt
376.4490000000001
Mol Log P
3.886600000000003
In Ch Ikey
OAHJZEWASFRGKJ-CHWSQXEVSA-N
Tcm Name
梅州三白草
Tcm Name2
MEI ZHOU SAN BAI CAO
Mol2 Path
/TCM_database/2007_3d_all/19416.mol2
Reference
3959
Num Hdonors
3
Tcm Name En
Lizard’s-tail
Drug Likeness
0.606
Num Hacceptors
6
Isomeric Smiles
C[C@H](CC1=CC(=C(C(=C1)OC)O)O)[C@H](C)CC2=CC(=C(C(=C2)OC)O)OC
Canonical Smiles
CC(CC1=CC(=C(C(=C1)OC)O)O)C(C)CC2=CC(=C(C(=C2)OC)O)OC
Herb Alias Names
5-[(2R,3R)-4-(4-hydroxy-3,5-dimethoxyphenyl)-2,3-dimethylbutyl]-3-methoxybenzene-1,2-diol5-((2R,3R)-4-(4-hydroxy-3,5-dimethoxyphenyl)-2,3-dimethylbutyl)-3-methoxybenzene-1,2-diol289497-20-7
Molecular Weight
376.4 g/mol
Molecular Formula
C21H28O6
Num Rotatable Bonds
8