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
- 11545
- Core Entity Id
- 16001
- Source Entity Count
- 1
- Preferred Name
- Artocommunol cd
- Name En
- Pubchem Id
- 10983804
- Smiles Canonical
- CC(=CCCC(=CCC1=C(OC2=C(C(=CC(=C2C1=O)O)O)CC=C(C)C)C3=C(C=C(C=C3)O)O)C)C
- Molecular Formula
- C30H34O6
- Molecular Weight
- 490.5960
- Inchikey
- JIYLDFRPPGXCML-VXLYETTFSA-N
- Inchi
- InChI=1S/C30H34O6/c1-17(2)7-6-8-19(5)10-13-23-28(35)27-26(34)16-25(33)22(12-9-18(3)4)30(27)36-29(23)21-14-11-20(31)15-24(21)32/h7,9-11,14-16,31-34H,6,8,12-13H2,1-5H3/b19-10+
- Isomeric Smiles
- CC(=CCC/C(=C/CC1=C(OC2=C(C(=CC(=C2C1=O)O)O)CC=C(C)C)C3=C(C=C(C=C3)O)O)/C)C
- Cas Id
- Ob Score
- Mol Logp
- 7.0263
- Num H Donors
- 4
- Num H Acceptors
- 6
- Num Rotatable Bonds
- 8
- Drug Likeness
- 0.2520
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Artocommunol CD
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Artocommunol CD
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Artocommunol cd
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Artocommunol cd
Role
preferred
Source
itcmdb_public
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
Name
2-(2,4-dihydroxyphenyl)-3-((2E)-3,7-dimethylocta-2,6-dienyl)-5,7-dihydroxy-8-(3-methylbut-2-enyl)chromen-4-one
Role
alias
Source
HERB_v2
Preferred
No
Name
2-(2,4-dihydroxyphenyl)-3-[(2E)-3,7-dimethylocta-2,6-dienyl]-5,7-dihydroxy-8-(3-methylbut-2-enyl)chromen-4-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
502627-56-7
Role
alias
Source
HERB_v2
Preferred
No
Name
502627-56-7
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEMBL3924574
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEMBL3924574
Role
alias
Source
itcmdb_public
Preferred
No
Name
LMPK12110903
Role
alias
Source
HERB_v2
Preferred
No
Name
LMPK12110903
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
面包果MIAN BAO GUOCommon Artocarpus*2-(2,4-dihydroxyphenyl)-3-((2E)-3,7-dimethylocta-2,6-dienyl)-5,7-dihydroxy-8-(3-methylbut-2-enyl)chromen-4-one2-(2,4-dihydroxyphenyl)-3-[(2E)-3,7-dimethylocta-2,6-dienyl]-5,7-dihydroxy-8-(3-methylbut-2-enyl)chromen-4-one502627-56-7CHEMBL3924574LMPK12110903
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN016983
Npass
NPC77856
Tcmid
1813
Pub Chem
10983804
Tcmbank
TCMBANKIN041713
Etcm Ingredient
Artocommunol CD
Itcmdb Generated
ITX-INGREDIENT-874BEFFC16B9
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C30H34O6/c1-17(2)7-6-8-19(5)10-13-23-28(35)27-26(34)16-25(33)22(12-9-18(3)4)30(27)36-29(23)21-14-11-20(31)15-24(21)32/h7,9-11,14-16,31-34H,6,8,12-13H2,1-5H3/b19-10+
Mol Wt
490.5960000000002
Mol Log P
7.026300000000008
In Ch Ikey
JIYLDFRPPGXCML-VXLYETTFSA-N
Tcm Name
面包果
Tcm Name2
MIAN BAO GUO
Mol2 Path
/TCM_database/2007_3d_all/01813.mol2
Reference
4682
Num Hdonors
4
Tcm Name En
Common Artocarpus*
Drug Likeness
0.252
Num Hacceptors
6
Isomeric Smiles
CC(=CCC/C(=C/CC1=C(OC2=C(C(=CC(=C2C1=O)O)O)CC=C(C)C)C3=C(C=C(C=C3)O)O)/C)C
Canonical Smiles
CC(=CCCC(=CCC1=C(OC2=C(C(=CC(=C2C1=O)O)O)CC=C(C)C)C3=C(C=C(C=C3)O)O)C)C
Herb Alias Names
2-(2,4-dihydroxyphenyl)-3-((2E)-3,7-dimethylocta-2,6-dienyl)-5,7-dihydroxy-8-(3-methylbut-2-enyl)chromen-4-one2-(2,4-dihydroxyphenyl)-3-[(2E)-3,7-dimethylocta-2,6-dienyl]-5,7-dihydroxy-8-(3-methylbut-2-enyl)chromen-4-oneCHEMBL3924574LMPK12110903502627-56-7
Molecular Weight
490.240
Molecular Weight
490.6 g/mol
Molecular Formula
C30H34O6
Molecular Formula
C30H34O6
Num Rotatable Bonds
8
Fda Maximum Daily Dose (Fdamdd)
0.482
Quantitative Estimate Of Drug Likeness（Qed）
0.252