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
- 24270
- Core Entity Id
- 30163
- Source Entity Count
- 1
- Preferred Name
- Latinone
- Name En
- Pubchem Id
- 10021410
- Smiles Canonical
- COC1=CC(=O)C2=C(C1=O)C3=CC(=C(C=C3C(=C2)C4=CC=CC=C4)O)OC
- Molecular Formula
- C22H16O5
- Molecular Weight
- 360.3650
- Inchikey
- WAAZBXYZFBGWND-UHFFFAOYSA-N
- Inchi
- InChI=1S/C22H16O5/c1-26-19-10-15-14(9-18(19)24)13(12-6-4-3-5-7-12)8-16-17(23)11-20(27-2)22(25)21(15)16/h3-11,24H,1-2H3
- Isomeric Smiles
- COC1=CC(=O)C2=C(C1=O)C3=CC(=C(C=C3C(=C2)C4=CC=CC=C4)O)OC
- Cas Id
- Ob Score
- Mol Logp
- 4.1303
- Num H Donors
- 1
- Num H Acceptors
- 5
- Num Rotatable Bonds
- 3
- Drug Likeness
- 0.7600
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Latinone
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Latinone
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
latinone
Role
preferred
Source
TCMBank
Preferred
Yes
Name
7-hydroxy-3,6-dimethoxy-9-phenylphenanthrene-1,4-dione
Role
alias
Source
HERB_v2
Preferred
No
Name
7-hydroxy-3,6-dimethoxy-9-phenylphenanthrene-1,4-dione
Role
alias
Source
itcmdb_public
Preferred
No
Name
79157-36-1
Role
alias
Source
HERB_v2
Preferred
No
Name
79157-36-1
Role
alias
Source
itcmdb_public
Preferred
No
Name
AKOS040762946
Role
alias
Source
itcmdb_public
Preferred
No
Name
AKOS040762946
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEMBL453557
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEMBL453557
Role
alias
Source
HERB_v2
Preferred
No
Name
CS-0113317
Role
alias
Source
HERB_v2
Preferred
No
Name
CS-0113317
Role
alias
Source
itcmdb_public
Preferred
No
Name
DA-54809
Role
alias
Source
itcmdb_public
Preferred
No
Name
DA-54809
Role
alias
Source
HERB_v2
Preferred
No
Name
HY-N7326
Role
alias
Source
itcmdb_public
Preferred
No
Name
HY-N7326
Role
alias
Source
HERB_v2
Preferred
No
Name
starbld0000931
Role
alias
Source
HERB_v2
Preferred
No
Name
starbld0000931
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
7-hydroxy-3,6-dimethoxy-9-phenylphenanthrene-1,4-dione79157-36-1AKOS040762946CHEMBL453557CS-0113317DA-54809HY-N7326starbld0000931
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN032740
Npass
NPC58310
Tcmid
12554
Pub Chem
10021410
Tcmbank
TCMBANKIN044649
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C22H16O5/c1-26-19-10-15-14(9-18(19)24)13(12-6-4-3-5-7-12)8-16-17(23)11-20(27-2)22(25)21(15)16/h3-11,24H,1-2H3
Mol Wt
360.3650000000001
Smiles
COC1=CC(=O)C2=C(C1=O)C3=CC(=C(C=C3C(=C2)C4=CC=CC=C4)O)OC
Mol Log P
4.130300000000004
In Ch Ikey
WAAZBXYZFBGWND-UHFFFAOYSA-N
Mol2 Path
/TCM_database/2007_3d_all/12559.mol2
Reference
4716
Num Hdonors
1
Drug Likeness
0.76
Num Hacceptors
5
Isomeric Smiles
COC1=CC(=O)C2=C(C1=O)C3=CC(=C(C=C3C(=C2)C4=CC=CC=C4)O)OC
Canonical Smiles
COC1=CC(=O)C2=C(C1=O)C3=CC(=C(C=C3C(=C2)C4=CC=CC=C4)O)OC
Herb Alias Names
79157-36-17-hydroxy-3,6-dimethoxy-9-phenylphenanthrene-1,4-dionestarbld0000931CHEMBL453557HY-N7326AKOS040762946DA-54809CS-0113317
Molecular Weight
360.4 g/mol
Molecular Formula
C22H16O5
Molecular Formula
C22H16O5
Num Rotatable Bonds
3