IngredientID 18550
Erythro-2,3-bis(4-hydroxy-3-methoxyphenyl)-3-ethoxypropan-1-ol
C19H24O6
Relationship Network
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Herb: 1Ingredient: 1Links: 1
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Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 18550
- Core Entity Id
- 23796
- Source Entity Count
- 1
- Preferred Name
- Erythro-2,3-bis(4-hydroxy-3-methoxyphenyl)-3-ethoxypropan-1-ol
- Name En
- Pubchem Id
- 11759831
- Smiles Canonical
- CCOC(C1=CC(=C(C=C1)O)OC)C(CO)C2=CC(=C(C=C2)O)OC
- Molecular Formula
- C19H24O6
- Molecular Weight
- 348.3950
- Inchikey
- TWNHRYYCHRBTKZ-KUHUBIRLSA-N
- Inchi
- InChI=1S/C19H24O6/c1-4-25-19(13-6-8-16(22)18(10-13)24-3)14(11-20)12-5-7-15(21)17(9-12)23-2/h5-10,14,19-22H,4,11H2,1-3H3/t14-,19+/m1/s1
- Isomeric Smiles
- CCO[C@@H](C1=CC(=C(C=C1)O)OC)[C@H](CO)C2=CC(=C(C=C2)O)OC
- Cas Id
- Ob Score
- Mol Logp
- 2.9687
- Num H Donors
- 3
- Num H Acceptors
- 6
- Num Rotatable Bonds
- 8
- Drug Likeness
- 0.6800
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Erythro-2,3-bis(4-hydroxy-3-methoxyphenyl)-3-ethoxypropan-1-ol
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Erythro-2,3-bis(4-hydroxy-3-methoxyphenyl)-3-ethoxypropan-1-ol
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
erythro-2,3-Bis(4-hydroxy-3-methoxyphenyl)-3-ethoxypropan-1-ol
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
erythro-2,3-Bis(4-hydroxy-3-methoxyphenyl)-3-ethoxypropan-1-ol
Role
preferred
Source
TCMBank
Preferred
Yes
Name
天仙果
Role
TCM_name
Source
TCMBank
Preferred
No
Name
TIAN XIAN GUO
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Erect Fig
Role
TCM_name_en
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
天仙果TIAN XIAN GUOErect Fig
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN025704
Npass
NPC259221
Tcmid
2464
Pub Chem
11759831
Tcmbank
TCMBANKIN008497
Etcm Ingredient
erythro-2,3-Bis(4-hydroxy-3-methoxyphenyl)-3-ethoxypropan-1-ol
Itcmdb Generated
ITX-INGREDIENT-2DFEC2D370A1ITX-INGREDIENT-E1E59E6DA1FA
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C19H24O6/c1-4-25-19(13-6-8-16(22)18(10-13)24-3)14(11-20)12-5-7-15(21)17(9-12)23-2/h5-10,14,19-22H,4,11H2,1-3H3/t14-,19+/m1/s1
Mol Wt
348.3950000000001
Mol Log P
2.968700000000001
In Ch Ikey
TWNHRYYCHRBTKZ-KUHUBIRLSA-N
Tcm Name
天仙果
Tcm Name2
TIAN XIAN GUO
Mol2 Path
/TCM_database/2007_3d_all/02464.mol2
Reference
4657
Num Hdonors
3
Tcm Name En
Erect Fig
Drug Likeness
0.68
Num Hacceptors
6
Isomeric Smiles
CCO[C@@H](C1=CC(=C(C=C1)O)OC)[C@H](CO)C2=CC(=C(C=C2)O)OC
Canonical Smiles
CCOC(C1=CC(=C(C=C1)O)OC)C(CO)C2=CC(=C(C=C2)O)OC
Molecular Weight
362.170
Molecular Formula
C20H26O6
Molecular Formula
C19H24O6
Num Rotatable Bonds
8
Fda Maximum Daily Dose (Fdamdd)
0.045
Quantitative Estimate Of Drug Likeness（Qed）
0.669