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
- 32679
- Core Entity Id
- 39516
- Source Entity Count
- 1
- Preferred Name
- Sauriol a
- Name En
- Pubchem Id
- 15965507
- Smiles Canonical
- CC(CC1=CC(=C(C(=C1)OC)O)O)C(C)CC2=CC(=C(C(=C2)OC)O)O
- Molecular Formula
- C20H26O6
- Molecular Weight
- 362.4220
- Inchikey
- OZDNCPZBUBDALE-VXGBXAGGSA-N
- Inchi
- InChI=1S/C20H26O6/c1-11(5-13-7-15(21)19(23)17(9-13)25-3)12(2)6-14-8-16(22)20(24)18(10-14)26-4/h7-12,21-24H,5-6H2,1-4H3/t11-,12-/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)O
- Cas Id
- Ob Score
- Mol Logp
- 3.5836
- Num H Donors
- 4
- Num H Acceptors
- 6
- Num Rotatable Bonds
- 7
- Drug Likeness
- 0.5620
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Sauriol a
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Sauriol a
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
sauriol a
Role
preferred
Source
TCMBank
Preferred
Yes
Name
289497-19-4
Role
alias
Source
itcmdb_public
Preferred
No
Name
289497-19-4
Role
alias
Source
HERB_v2
Preferred
No
Name
5-((2R,3R)-4-(3,4-dihydroxy-5-methoxyphenyl)-2,3-dimethylbutyl)-3-methoxybenzene-1,2-diol
Role
alias
Source
itcmdb_public
Preferred
No
Name
5-[(2R,3R)-4-(3,4-dihydroxy-5-methoxyphenyl)-2,3-dimethylbutyl]-3-methoxybenzene-1,2-diol
Role
alias
Source
HERB_v2
Preferred
No
Aliases
Additional names normalized into the restored final schema.
289497-19-45-((2R,3R)-4-(3,4-dihydroxy-5-methoxyphenyl)-2,3-dimethylbutyl)-3-methoxybenzene-1,2-diol5-[(2R,3R)-4-(3,4-dihydroxy-5-methoxyphenyl)-2,3-dimethylbutyl]-3-methoxybenzene-1,2-diol
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN043231
Tcmid
19400
Pub Chem
15965507
Tcmbank
TCMBANKIN044772
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C20H26O6/c1-11(5-13-7-15(21)19(23)17(9-13)25-3)12(2)6-14-8-16(22)20(24)18(10-14)26-4/h7-12,21-24H,5-6H2,1-4H3/t11-,12-/m1/s1
Mol Wt
362.4220000000001
Smiles
CC(CC1=CC(=C(C(=C1)OC)O)O)C(C)CC2=CC(=C(C(=C2)OC)O)O
Mol Log P
3.583600000000004
In Ch Ikey
OZDNCPZBUBDALE-VXGBXAGGSA-N
Mol2 Path
/TCM_database/2007_3d_all/19415.mol2
Reference
3959
Num Hdonors
4
Drug Likeness
0.562
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)O
Canonical Smiles
CC(CC1=CC(=C(C(=C1)OC)O)O)C(C)CC2=CC(=C(C(=C2)OC)O)O
Herb Alias Names
5-[(2R,3R)-4-(3,4-dihydroxy-5-methoxyphenyl)-2,3-dimethylbutyl]-3-methoxybenzene-1,2-diol5-((2R,3R)-4-(3,4-dihydroxy-5-methoxyphenyl)-2,3-dimethylbutyl)-3-methoxybenzene-1,2-diol289497-19-4
Molecular Weight
362.4 g/mol
Molecular Formula
C20H26O6
Molecular Formula
C20H26O6
Num Rotatable Bonds
7