Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Target: 1Links: 3
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 11546
- Core Entity Id
- 16002
- Source Entity Count
- 1
- Preferred Name
- Artocommunol ce
- Name En
- Pubchem Id
- 11070113
- Smiles Canonical
- CC(=CC(C1=C(OC2=C(C1=O)C(=CC3=C2C=CC(O3)(C)C)O)C4=CC=C(C=C4)OC)O)C
- Molecular Formula
- C26H26O6
- Molecular Weight
- 434.4880
- Inchikey
- AEULKVUZCRFRBV-UHFFFAOYSA-N
- Inchi
- InChI=1S/C26H26O6/c1-14(2)12-18(27)21-23(29)22-19(28)13-20-17(10-11-26(3,4)32-20)25(22)31-24(21)15-6-8-16(30-5)9-7-15/h6-13,18,27-28H,1-5H3
- Isomeric Smiles
- CC(=CC(C1=C(OC2=C(C1=O)C(=CC3=C2C=CC(O3)(C)C)O)C4=CC=C(C=C4)OC)O)C
- Cas Id
- Ob Score
- Mol Logp
- 5.3580
- Num H Donors
- 2
- Num H Acceptors
- 6
- Num Rotatable Bonds
- 4
- Drug Likeness
- 0.5380
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Artocommunol CE
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Artocommunol CE
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Artocommunol ce
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Artocommunol ce
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
面包果
Role
TCM_name
Source
TCMBank
Preferred
No
Name
MIAN BAO GUO
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Common Artocarpus*
Role
TCM_name_en
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
面包果MIAN BAO GUOCommon Artocarpus*
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN016984
Tcmid
1814
Pub Chem
11070113
Tcmbank
TCMBANKIN040172
Etcm Ingredient
Artocommunol CE
Itcmdb Generated
ITX-INGREDIENT-D273A6AE3ADA
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C26H26O6/c1-14(2)12-18(27)21-23(29)22-19(28)13-20-17(10-11-26(3,4)32-20)25(22)31-24(21)15-6-8-16(30-5)9-7-15/h6-13,18,27-28H,1-5H3
Mol Wt
434.4880000000002
Mol Log P
5.358000000000007
In Ch Ikey
AEULKVUZCRFRBV-UHFFFAOYSA-N
Tcm Name
面包果
Tcm Name2
MIAN BAO GUO
Mol2 Path
/TCM_database/2007_3d_all/01814.mol2
Reference
4682
Num Hdonors
2
Tcm Name En
Common Artocarpus*
Drug Likeness
0.538
Num Hacceptors
6
Isomeric Smiles
CC(=CC(C1=C(OC2=C(C1=O)C(=CC3=C2C=CC(O3)(C)C)O)C4=CC=C(C=C4)OC)O)C
Canonical Smiles
CC(=CC(C1=C(OC2=C(C1=O)C(=CC3=C2C=CC(O3)(C)C)O)C4=CC=C(C=C4)OC)O)C
Molecular Weight
434.170
Molecular Weight
434.5 g/mol
Molecular Formula
C26H26O6
Molecular Formula
C26H26O6
Num Rotatable Bonds
4
Fda Maximum Daily Dose (Fdamdd)
0.654
Quantitative Estimate Of Drug Likeness（Qed）
0.538