Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 4Ingredient: 1Target: 14Links: 28
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 3308
- Core Entity Id
- 6863
- Source Entity Count
- 1
- Preferred Name
- 3,4,8,9,10-pentahydroxybenzo[c]chromen-6-one
- Name En
- Pubchem Id
- 18504424
- Smiles Canonical
- C1=CC(=C(C2=C1C3=C(C(=C(C=C3C(=O)O2)O)O)O)O)O
- Molecular Formula
- C13H8O7
- Molecular Weight
- 276.2000
- Inchikey
- ZELMDXUEWHBWPN-UHFFFAOYSA-N
- Inchi
- InChI=1S/C13H8O7/c14-6-2-1-4-8-5(3-7(15)9(16)11(8)18)13(19)20-12(4)10(6)17/h1-3,14-18H
- Isomeric Smiles
- C1=CC(=C(C2=C1C3=C(C(=C(C=C3C(=O)O2)O)O)O)O)O
- Cas Id
- 91485-02-8
- Ob Score
- 16.1260
- Mol Logp
- 1.4742
- Num H Donors
- 5
- Num H Acceptors
- 7
- Num Rotatable Bonds
- 0
- Drug Likeness
- 0.2380
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
3,4,8,9,10-Pentahydroxybenzo[C]Chromen-6-One
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
3,4,8,9,10-pentahydroxybenzo[c]chromen-6-one
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
3,4,8,9,10-pentahydroxybenzo[c]chromen-6-one
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
3,4,8,9,10-pentahydroxybenzo[c]chromen-6-one
Role
preferred
Source
TCMBank
Preferred
Yes
Name
3,4,8,9,10-pentahydroxybenzo[c]chromen-6-one
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
3,4,8,9,10-Pentahydroxy-6H-benzo[c]chromen-6-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
3,4,8,9,10-Pentahydroxy-6H-benzo[c]chromen-6-one
Role
alias
Source
HERB_v2
Preferred
No
Name
3,4,8,9,10-Pentahydroxy-6H-dibenzo[b,d]pyran-6-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
3,4,8,9,10-Pentahydroxy-6H-dibenzo[b,d]pyran-6-one
Role
alias
Source
HERB_v2
Preferred
No
Name
3,4,8,9,10-Pentahydroxyurolithin
Role
alias
Source
HERB_v2
Preferred
No
Name
3,4,8,9,10-Pentahydroxyurolithin
Role
alias
Source
itcmdb_public
Preferred
No
Name
3,4,8,9,10-pentahydroxy-6-benzo[c]chromenone
Role
alias
Source
TCMBank
Preferred
No
Name
3,4,8,9,10-pentahydroxydibenzo[b,d]pyran-6-one
Role
alias
Source
HERB_v2
Preferred
No
Name
3,4,8,9,10-pentahydroxydibenzo[b,d]pyran-6-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
91485-02-8
Role
alias
Source
HERB_v2
Preferred
No
Name
91485-02-8
Role
alias
Source
itcmdb_public
Preferred
No
Name
CS-0138808
Role
alias
Source
HERB_v2
Preferred
No
Name
CS-0138808
Role
alias
Source
itcmdb_public
Preferred
No
Name
Decarboxyellagic Acid
Role
alias
Source
HERB_v2
Preferred
No
Name
Decarboxyellagic Acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
HY-N7922
Role
alias
Source
HERB_v2
Preferred
No
Name
HY-N7922
Role
alias
Source
itcmdb_public
Preferred
No
Name
SCHEMBL2357304
Role
alias
Source
HERB_v2
Preferred
No
Name
SCHEMBL2357304
Role
alias
Source
itcmdb_public
Preferred
No
Name
urolithin M5
Role
alias
Source
HERB_v2
Preferred
No
Name
urolithin M5
Role
alias
Source
itcmdb_public
Preferred
No
Name
3,4,8,9,10-pentahydroxydibenzo[b,d]pyran- 6- one
Role
preferred
Source
TCMBank
Preferred
Yes
Aliases
Additional names normalized into the restored final schema.
3,4,8,9,10-Pentahydroxy-6H-benzo[c]chromen-6-one3,4,8,9,10-Pentahydroxy-6H-dibenzo[b,d]pyran-6-one3,4,8,9,10-Pentahydroxyurolithin3,4,8,9,10-pentahydroxy-6-benzo[c]chromenone3,4,8,9,10-pentahydroxydibenzo[b,d]pyran-6-one91485-02-8CS-0138808Decarboxyellagic AcidHY-N7922SCHEMBL2357304urolithin M53,4,8,9,10-pentahydroxydibenzo[b,d]pyran- 6- one
Cross References
Trusted external identifiers retained for this final record.
Cas
91485-02-8
Herb
HBIN007323HBIN007324
Tcmid
1683241517
Tcmsp
MOL012791
Sym Map
SMIT13522
Pub Chem
18504424
Tcmbank
TCMBANKIN014929TCMBANKIN015970
Etcm Ingredient
3,4,8,9,10-pentahydroxybenzo[c]chromen-6-one
Itcmdb Generated
ITX-INGREDIENT-C76FF493640D
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C13H8O7/c14-6-2-1-4-8-5(3-7(15)9(16)11(8)18)13(19)20-12(4)10(6)17/h1-3,14-18H
Mol Wt
276.2
Cas Id
91485-02-8
Smiles
C1=CC(=C(C2=C1C3=C(C(=C(C=C3C(=O)O2)O)O)O)O)O
Mol Log P
1.4742
Version
v1,v2
In Ch Ikey
ZELMDXUEWHBWPN-UHFFFAOYSA-N
Ob Score
16.12616.12612416.12612419
Suppress
0
Num Hdonors
5
Drug Likeness
0.238
Num Hacceptors
7
Isomeric Smiles
C1=CC(=C(C2=C1C3=C(C(=C(C=C3C(=O)O2)O)O)O)O)O
Molecule Weight
276.21
Canonical Smiles
C1=CC(=C(C2=C1C3=C(C(=C(C=C3C(=O)O2)O)O)O)O)O
Herb Alias Names
urolithin M591485-02-83,4,8,9,10-Pentahydroxy-6H-dibenzo[b,d]pyran-6-one3,4,8,9,10-PentahydroxyurolithinDecarboxyellagic AcidSCHEMBL2357304HY-N7922CS-01388083,4,8,9,10-pentahydroxydibenzo[b,d]pyran-6-one3,4,8,9,10-Pentahydroxy-6H-benzo[c]chromen-6-one
Molecular Weight
276.030
Molecular Weight
276.2
Molecular Formula
C13H8O7
Molecular Formula
C13H8O7
Molecular Formula
C13H8O7
Num Rotatable Bonds
0
Fda Maximum Daily Dose (Fdamdd)
0.597
Quantitative Estimate Of Drug Likeness（Qed）
0.238