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
- 34112
- Core Entity Id
- 41111
- Source Entity Count
- 1
- Preferred Name
- Styraxjaponoside b
- Name En
- Pubchem Id
- 11341614
- Smiles Canonical
- COC1=C(C=C(C=C1)CC2C(COC2=O)CC3=CC(=C(C=C3)OC4C(C(C(C(O4)CO)O)O)O)OC)OC
- Molecular Formula
- C27H34O11
- Molecular Weight
- 534.5580
- Inchikey
- AEMJDNJKSCBKRL-SWOBOCGESA-N
- Inchi
- InChI=1S/C27H34O11/c1-33-18-6-4-15(11-20(18)34-2)9-17-16(13-36-26(17)32)8-14-5-7-19(21(10-14)35-3)37-27-25(31)24(30)23(29)22(12-28)38-27/h4-7,10-11,16-17,22-25,27-31H,8-9,12-13H2,1-3H3/t16-,17+,22+,23+,24-,25+,27+/m0/s1
- Isomeric Smiles
- COC1=C(C=C(C=C1)C[C@@H]2[C@H](COC2=O)CC3=CC(=C(C=C3)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)OC)OC
- Cas Id
- Ob Score
- Mol Logp
- 0.4655
- Num H Donors
- 4
- Num H Acceptors
- 11
- Num Rotatable Bonds
- 10
- Drug Likeness
- 0.3150
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Styraxjaponoside B
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Styraxjaponoside b
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Styraxjaponoside b
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
日本安息香茎皮*
Role
TCM_name
Source
TCMBank
Preferred
No
Name
RI BEN AN XI XIANG JING PI
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Japanese Snowbell Stem-bark
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
(3R,4R)-3-[(3,4-Dimethoxyphenyl)methyl]-4-[[3-methoxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methyl]oxolan-2-one
Role
alias
Source
HERB_v2
Preferred
No
Name
(3R,4R)-3-[(3,4-Dimethoxyphenyl)methyl]-4-[[3-methoxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methyl]oxolan-2-one
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
日本安息香茎皮*RI BEN AN XI XIANG JING PIJapanese Snowbell Stem-bark(3R,4R)-3-[(3,4-Dimethoxyphenyl)methyl]-4-[[3-methoxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methyl]oxolan-2-one
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN045019
Npass
NPC309987
Tcmid
20405
Pub Chem
11341614
Tcmbank
TCMBANKIN048017
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C27H34O11/c1-33-18-6-4-15(11-20(18)34-2)9-17-16(13-36-26(17)32)8-14-5-7-19(21(10-14)35-3)37-27-25(31)24(30)23(29)22(12-28)38-27/h4-7,10-11,16-17,22-25,27-31H,8-9,12-13H2,1-3H3/t16-,17+,22+,23+,24-,25+,27+/m0/s1
Mol Wt
534.5580000000001
Mol Log P
0.4654999999999995
In Ch Ikey
AEMJDNJKSCBKRL-SWOBOCGESA-N
Tcm Name
日本安息香茎皮*
Tcm Name2
RI BEN AN XI XIANG JING PI
Mol2 Path
/TCM_database/2007_3d_all/20421.mol2
Reference
2546
Num Hdonors
4
Tcm Name En
Japanese Snowbell Stem-bark
Drug Likeness
0.315
Num Hacceptors
11
Isomeric Smiles
COC1=C(C=C(C=C1)C[C@@H]2[C@H](COC2=O)CC3=CC(=C(C=C3)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)OC)OC
Canonical Smiles
COC1=C(C=C(C=C1)CC2C(COC2=O)CC3=CC(=C(C=C3)OC4C(C(C(C(O4)CO)O)O)O)OC)OC
Herb Alias Names
(3R,4R)-3-[(3,4-Dimethoxyphenyl)methyl]-4-[[3-methoxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methyl]oxolan-2-one
Molecular Weight
534.6 g/mol
Molecular Formula
C27H34O11
Num Rotatable Bonds
10