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
- 15573
- Core Entity Id
- 20478
- Source Entity Count
- 1
- Preferred Name
- Curcapital
- Name En
- Pubchem Id
- 10733722
- Smiles Canonical
- C1=C(OC2=C1C3=CC(=C(C=C3C4=CC(=C(C=C42)O)O)O)O)C=O
- Molecular Formula
- C17H10O6
- Molecular Weight
- 310.2610
- Inchikey
- CCFNLSOCWDCRIW-UHFFFAOYSA-N
- Inchi
- InChI=1S/C17H10O6/c18-6-7-1-11-9-3-14(20)13(19)2-8(9)10-4-15(21)16(22)5-12(10)17(11)23-7/h1-6,19-22H
- Isomeric Smiles
- C1=C(OC2=C1C3=CC(=C(C=C3C4=CC(=C(C=C42)O)O)O)O)C=O
- Cas Id
- Ob Score
- Mol Logp
- 3.3741
- Num H Donors
- 4
- Num H Acceptors
- 6
- Num Rotatable Bonds
- 1
- Drug Likeness
- 0.2440
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Curcapital
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Curcapital
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
curcapital
Role
preferred
Source
TCMBank
Preferred
Yes
Name
229971-93-1
Role
alias
Source
HERB_v2
Preferred
No
Name
229971-93-1
Role
alias
Source
itcmdb_public
Preferred
No
Name
5,6,9,10-Tetrahydroxyphenanthro[9,10-b]furan-2-carboxaldehyde
Role
alias
Source
itcmdb_public
Preferred
No
Name
5,6,9,10-Tetrahydroxyphenanthro[9,10-b]furan-2-carboxaldehyde
Role
alias
Source
HERB_v2
Preferred
No
Name
5,6,9,10-tetrahydroxyphenanthro[9,10-b]furan-2-carbaldehyde
Role
alias
Source
itcmdb_public
Preferred
No
Name
5,6,9,10-tetrahydroxyphenanthro[9,10-b]furan-2-carbaldehyde
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID801181506
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID801181506
Role
alias
Source
itcmdb_public
Preferred
No
Name
SCHEMBL25306121
Role
alias
Source
HERB_v2
Preferred
No
Name
SCHEMBL25306121
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
229971-93-15,6,9,10-Tetrahydroxyphenanthro[9,10-b]furan-2-carboxaldehyde5,6,9,10-tetrahydroxyphenanthro[9,10-b]furan-2-carbaldehydeDTXSID801181506SCHEMBL25306121
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN021928
Npass
NPC142086
Tcmid
34908
Pub Chem
10733722
Tcmbank
TCMBANKIN012168
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C17H10O6/c18-6-7-1-11-9-3-14(20)13(19)2-8(9)10-4-15(21)16(22)5-12(10)17(11)23-7/h1-6,19-22H
Mol Wt
310.261
Smiles
C1=C(OC2=C1C3=CC(=C(C=C3C4=CC(=C(C=C42)O)O)O)O)C=O
Mol Log P
3.374100000000002
In Ch Ikey
CCFNLSOCWDCRIW-UHFFFAOYSA-N
Num Hdonors
4
Drug Likeness
0.244
Num Hacceptors
6
Isomeric Smiles
C1=C(OC2=C1C3=CC(=C(C=C3C4=CC(=C(C=C42)O)O)O)O)C=O
Canonical Smiles
C1=C(OC2=C1C3=CC(=C(C=C3C4=CC(=C(C=C42)O)O)O)O)C=O
Herb Alias Names
229971-93-1SCHEMBL25306121DTXSID8011815065,6,9,10-tetrahydroxyphenanthro[9,10-b]furan-2-carbaldehyde5,6,9,10-Tetrahydroxyphenanthro[9,10-b]furan-2-carboxaldehyde
Molecular Weight
310.26 g/mol
Molecular Formula
C17H10O6
Molecular Formula
C17H10O6
Num Rotatable Bonds
1