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
- 20798
- Core Entity Id
- 26298
- Source Entity Count
- 1
- Preferred Name
- Guangsangon b
- Name En
- Pubchem Id
- 11238405
- Smiles Canonical
- CC1=CC(C(C(C1)C2=C(C=C(C=C2)O)O)C(=O)C3=C(C=C(C=C3)O)O)C4=C(C=CC(=C4)C=CC5=CC(=CC(=C5)O)O)O
- Molecular Formula
- C34H30O8
- Molecular Weight
- 566.6060
- Inchikey
- BENCEMVUEREMHX-JHIKTBOWSA-N
- Inchi
- InChI=1S/C34H30O8/c1-18-10-28(25-7-5-21(35)16-31(25)40)33(34(42)26-8-6-22(36)17-32(26)41)29(11-18)27-14-19(4-9-30(27)39)2-3-20-12-23(37)15-24(38)13-20/h2-9,11-17,28-29,33,35-41H,10H2,1H3/b3-2+/t28-,29+,33-/m1/s1
- Isomeric Smiles
- CC1=C[C@H]([C@@H]([C@H](C1)C2=C(C=C(C=C2)O)O)C(=O)C3=C(C=C(C=C3)O)O)C4=C(C=CC(=C4)/C=C/C5=CC(=CC(=C5)O)O)O
- Cas Id
- Ob Score
- Mol Logp
- 6.5127
- Num H Donors
- 7
- Num H Acceptors
- 8
- Num Rotatable Bonds
- 6
- Drug Likeness
- 0.0790
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Guangsangon B
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Guangsangon B
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Guangsangon b
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Guangsangon b
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
奶桑
Role
TCM_name
Source
TCMBank
Preferred
No
Name
NAI SANG
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Long-tail Mulberry*
Role
TCM_name_en
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
奶桑NAI SANGLong-tail Mulberry*
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN028501
Tcmid
9053
Pub Chem
11238405
Tcmbank
TCMBANKIN039105
Etcm Ingredient
Guangsangon B
Itcmdb Generated
ITX-INGREDIENT-DCC569F3B98F
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C34H30O8/c1-18-10-28(25-7-5-21(35)16-31(25)40)33(34(42)26-8-6-22(36)17-32(26)41)29(11-18)27-14-19(4-9-30(27)39)2-3-20-12-23(37)15-24(38)13-20/h2-9,11-17,28-29,33,35-41H,10H2,1H3/b3-2+/t28-,29+,33-/m1/s1
Mol Wt
566.6060000000004
Mol Log P
6.51270000000001
In Ch Ikey
BENCEMVUEREMHX-JHIKTBOWSA-N
Tcm Name
奶桑
Tcm Name2
NAI SANG
Mol2 Path
/TCM_database/2007_3d_all/09054.mol2
Reference
5013
Num Hdonors
7
Tcm Name En
Long-tail Mulberry*
Drug Likeness
0.079
Num Hacceptors
8
Isomeric Smiles
CC1=C[C@H]([C@@H]([C@H](C1)C2=C(C=C(C=C2)O)O)C(=O)C3=C(C=C(C=C3)O)O)C4=C(C=CC(=C4)/C=C/C5=CC(=CC(=C5)O)O)O
Canonical Smiles
CC1=CC(C(C(C1)C2=C(C=C(C=C2)O)O)C(=O)C3=C(C=C(C=C3)O)O)C4=C(C=CC(=C4)C=CC5=CC(=CC(=C5)O)O)O
Molecular Weight
566.190
Molecular Formula
C34H30O8
Molecular Formula
C34H30O8
Num Rotatable Bonds
6
Fda Maximum Daily Dose (Fdamdd)
0.976
Quantitative Estimate Of Drug Likeness（Qed）
0.079