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
- 29592
- Core Entity Id
- 36075
- Source Entity Count
- 1
- Preferred Name
- Phaseoloidin
- Name En
- Pubchem Id
- 14104237
- Smiles Canonical
- C1=CC(=C(C=C1O)CC(=O)O)OC2C(C(C(C(O2)CO)O)O)O
- Molecular Formula
- C14H18O9
- Molecular Weight
- 330.2890
- Inchikey
- MVFYXXNAFZRZAM-RGCYKPLRSA-N
- Inchi
- InChI=1S/C14H18O9/c15-5-9-11(19)12(20)13(21)14(23-9)22-8-2-1-7(16)3-6(8)4-10(17)18/h1-3,9,11-16,19-21H,4-5H2,(H,17,18)/t9-,11-,12+,13-,14-/m1/s1
- Isomeric Smiles
- C1=CC(=C(C=C1O)CC(=O)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O
- Cas Id
- Ob Score
- Mol Logp
- -1.8020
- Num H Donors
- 6
- Num H Acceptors
- 8
- Num Rotatable Bonds
- 5
- Drug Likeness
- 0.3660
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Phaseoloidin
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Phaseoloidin
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Phaseoloidin
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Phaseoloidin
Role
preferred
Source
TCMBank
Preferred
Yes
Name
榼藤
Role
TCM_name
Source
TCMBank
Preferred
No
Name
KE TENG
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
(5-HYDROXY-2-{[(2S,3R,4S,5S,6R)-3,4,5-TRIHYDROXY-6-(HYDROXYMETHYL)OXAN-2-YL]OXY}PHENYL)ACETIC ACID
Role
alias
Source
HERB_v2
Preferred
No
Name
(5-HYDROXY-2-{[(2S,3R,4S,5S,6R)-3,4,5-TRIHYDROXY-6-(HYDROXYMETHYL)OXAN-2-YL]OXY}PHENYL)ACETIC ACID
Role
alias
Source
itcmdb_public
Preferred
No
Name
118555-82-1
Role
alias
Source
itcmdb_public
Preferred
No
Name
118555-82-1
Role
alias
Source
HERB_v2
Preferred
No
Name
2-(5-hydroxy-2-((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxyphenyl)acetic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
2-[5-hydroxy-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]acetic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
AKOS040758809
Role
alias
Source
HERB_v2
Preferred
No
Name
AKOS040758809
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEMBL2235399
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEMBL2235399
Role
alias
Source
itcmdb_public
Preferred
No
Name
DTXSID701347824
Role
alias
Source
itcmdb_public
Preferred
No
Name
DTXSID701347824
Role
alias
Source
HERB_v2
Preferred
No
Name
HY-N7400
Role
alias
Source
HERB_v2
Preferred
No
Name
HY-N7400
Role
alias
Source
itcmdb_public
Preferred
No
Name
s3240
Role
alias
Source
itcmdb_public
Preferred
No
Name
s3240
Role
alias
Source
HERB_v2
Preferred
No
Aliases
Additional names normalized into the restored final schema.
榼藤KE TENG(5-HYDROXY-2-{[(2S,3R,4S,5S,6R)-3,4,5-TRIHYDROXY-6-(HYDROXYMETHYL)OXAN-2-YL]OXY}PHENYL)ACETIC ACID118555-82-12-(5-hydroxy-2-((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxyphenyl)acetic acid2-[5-hydroxy-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]acetic acidAKOS040758809CHEMBL2235399DTXSID701347824HY-N7400s3240
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN039417
Npass
NPC164599
Tcmid
17036
Pub Chem
14104237
Tcmbank
TCMBANKIN041635
Etcm Ingredient
Phaseoloidin
Itcmdb Generated
ITX-INGREDIENT-62B570ECCD95
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C14H18O9/c15-5-9-11(19)12(20)13(21)14(23-9)22-8-2-1-7(16)3-6(8)4-10(17)18/h1-3,9,11-16,19-21H,4-5H2,(H,17,18)/t9-,11-,12+,13-,14-/m1/s1
Mol Wt
330.289
Mol Log P
-1.802
In Ch Ikey
MVFYXXNAFZRZAM-RGCYKPLRSA-N
Tcm Name
榼藤
Tcm Name2
KE TENG
Mol2 Path
/TCM_database/2007_3d_all/17050.mol2
Reference
3190
Num Hdonors
6
Drug Likeness
0.366
Num Hacceptors
8
Isomeric Smiles
C1=CC(=C(C=C1O)CC(=O)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O
Canonical Smiles
C1=CC(=C(C=C1O)CC(=O)O)OC2C(C(C(C(O2)CO)O)O)O
Herb Alias Names
118555-82-12-[5-hydroxy-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]acetic acid(5-HYDROXY-2-{[(2S,3R,4S,5S,6R)-3,4,5-TRIHYDROXY-6-(HYDROXYMETHYL)OXAN-2-YL]OXY}PHENYL)ACETIC ACID2-(5-hydroxy-2-((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxyphenyl)acetic acidCHEMBL2235399DTXSID701347824HY-N7400s3240AKOS040758809
Molecular Weight
330.100
Molecular Weight
330.29 g/mol
Molecular Formula
C14H18O9
Molecular Formula
C14H18O9
Num Rotatable Bonds
5
Fda Maximum Daily Dose (Fdamdd)
0.001
Quantitative Estimate Of Drug Likeness（Qed）
0.366