Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
Click a node to open it in a new tab
Herb: 1Ingredient: 1Links: 1
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 35149
- Core Entity Id
- 42254
- Source Entity Count
- 1
- Preferred Name
- Thelephantin d
- Name En
- Pubchem Id
- 101260622
- Smiles Canonical
- CCCC(=O)OC1=C(C(=C(C(=C1C2=CC=C(C=C2)O)O)OC(=O)CC3=CC=CC=C3)C4=CC=C(C=C4)O)O
- Molecular Formula
- C30H26O8
- Molecular Weight
- 514.5300
- Inchikey
- WQRIEKDUHJQWLC-UHFFFAOYSA-N
- Inchi
- InChI=1S/C30H26O8/c1-2-6-23(33)37-29-25(19-9-13-21(31)14-10-19)28(36)30(38-24(34)17-18-7-4-3-5-8-18)26(27(29)35)20-11-15-22(32)16-12-20/h3-5,7-16,31-32,35-36H,2,6,17H2,1H3
- Isomeric Smiles
- CCCC(=O)OC1=C(C(=C(C(=C1C2=CC=C(C=C2)O)O)OC(=O)CC3=CC=CC=C3)C4=CC=C(C=C4)O)O
- Cas Id
- Ob Score
- Mol Logp
- 5.6966
- Num H Donors
- 4
- Num H Acceptors
- 8
- Num Rotatable Bonds
- 8
- Drug Likeness
- 0.1340
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Thelephantin D
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Thelephantin d
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Thelephantin d
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
金黄革菌
Role
TCM_name
Source
TCMBank
Preferred
No
Name
JIN HUANG GE JUN
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Goldenyellow Thelephore*
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
CHEBI:206814
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEBI:206814
Role
alias
Source
HERB_v2
Preferred
No
Name
[2,5-dihydroxy-3,6-bis(4-hydroxyphenyl)-4-(2-phenylacetyl)oxyphenyl] butanoate
Role
alias
Source
HERB_v2
Preferred
No
Name
[2,5-dihydroxy-3,6-bis(4-hydroxyphenyl)-4-(2-phenylacetyl)oxyphenyl] butanoate
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
金黄革菌JIN HUANG GE JUNGoldenyellow Thelephore*CHEBI:206814[2,5-dihydroxy-3,6-bis(4-hydroxyphenyl)-4-(2-phenylacetyl)oxyphenyl] butanoate
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN046266
Npass
NPC256755
Tcmid
21280
Pub Chem
101260622
Tcmbank
TCMBANKIN048203
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C30H26O8/c1-2-6-23(33)37-29-25(19-9-13-21(31)14-10-19)28(36)30(38-24(34)17-18-7-4-3-5-8-18)26(27(29)35)20-11-15-22(32)16-12-20/h3-5,7-16,31-32,35-36H,2,6,17H2,1H3
Mol Wt
514.5300000000002
Mol Log P
5.696600000000009
In Ch Ikey
WQRIEKDUHJQWLC-UHFFFAOYSA-N
Tcm Name
金黄革菌
Tcm Name2
JIN HUANG GE JUN
Mol2 Path
/TCM_database/2007_3d_all/21296.mol2
Reference
3423
Num Hdonors
4
Tcm Name En
Goldenyellow Thelephore*
Drug Likeness
0.134
Num Hacceptors
8
Isomeric Smiles
CCCC(=O)OC1=C(C(=C(C(=C1C2=CC=C(C=C2)O)O)OC(=O)CC3=CC=CC=C3)C4=CC=C(C=C4)O)O
Canonical Smiles
CCCC(=O)OC1=C(C(=C(C(=C1C2=CC=C(C=C2)O)O)OC(=O)CC3=CC=CC=C3)C4=CC=C(C=C4)O)O
Herb Alias Names
CHEBI:206814[2,5-dihydroxy-3,6-bis(4-hydroxyphenyl)-4-(2-phenylacetyl)oxyphenyl] butanoate
Molecular Weight
514.5 g/mol
Molecular Formula
C30H26O8
Num Rotatable Bonds
8