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
- 29838
- Core Entity Id
- 36348
- Source Entity Count
- 1
- Preferred Name
- Physcion anthrone
- Name En
- Pubchem Id
- 19132
- Smiles Canonical
- CC1=CC2=C(C(=C1)O)C(=O)C3=C(C2)C=C(C=C3O)OC
- Molecular Formula
- C16H14O4
- Molecular Weight
- 270.2840
- Inchikey
- DRQZSQDHMHEDQS-UHFFFAOYSA-N
- Inchi
- InChI=1S/C16H14O4/c1-8-3-9-5-10-6-11(20-2)7-13(18)15(10)16(19)14(9)12(17)4-8/h3-4,6-7,17-18H,5H2,1-2H3
- Isomeric Smiles
- CC1=CC2=C(C(=C1)O)C(=O)C3=C(C2)C=C(C=C3O)OC
- Cas Id
- Ob Score
- Mol Logp
- 2.5500
- Num H Donors
- 2
- Num H Acceptors
- 4
- Num Rotatable Bonds
- 1
- Drug Likeness
- 0.7130
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Physcion anthrone
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Physcion anthrone
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Physcion anthrone
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
酸模
Role
TCM_name
Source
TCMBank
Preferred
No
Name
SUAN MO
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Garden Sorrel
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
3571-31-1
Role
alias
Source
HERB_v2
Preferred
No
Name
3571-31-1
Role
alias
Source
itcmdb_public
Preferred
No
Name
72PNO71IWV
Role
alias
Source
itcmdb_public
Preferred
No
Name
72PNO71IWV
Role
alias
Source
HERB_v2
Preferred
No
Name
9(10H)-Anthracenone, 1,8-dihydroxy-3-methoxy-6-methyl-
Role
alias
Source
itcmdb_public
Preferred
No
Name
9(10H)-Anthracenone, 1,8-dihydroxy-3-methoxy-6-methyl-
Role
alias
Source
HERB_v2
Preferred
No
Name
ANTHRONE, 1,8-DIHYDROXY-3-METHOXY-6-METHYL-
Role
alias
Source
HERB_v2
Preferred
No
Name
ANTHRONE, 1,8-DIHYDROXY-3-METHOXY-6-METHYL-
Role
alias
Source
itcmdb_public
Preferred
No
Name
CCRIS 6423
Role
alias
Source
HERB_v2
Preferred
No
Name
CCRIS 6423
Role
alias
Source
itcmdb_public
Preferred
No
Name
NSC-179488
Role
alias
Source
HERB_v2
Preferred
No
Name
NSC-179488
Role
alias
Source
itcmdb_public
Preferred
No
Name
Physcion-9-anthrone
Role
alias
Source
HERB_v2
Preferred
No
Name
Physcion-9-anthrone
Role
alias
Source
itcmdb_public
Preferred
No
Name
Physcionanthrone B
Role
alias
Source
HERB_v2
Preferred
No
Name
Physcionanthrone B
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
酸模SUAN MOGarden Sorrel3571-31-172PNO71IWV9(10H)-Anthracenone, 1,8-dihydroxy-3-methoxy-6-methyl-ANTHRONE, 1,8-DIHYDROXY-3-METHOXY-6-METHYL-CCRIS 6423NSC-179488Physcion-9-anthronePhyscionanthrone B
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN039767
Npass
NPC283337
Tcmid
17234
Pub Chem
19132
Tcmbank
TCMBANKIN042491
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C16H14O4/c1-8-3-9-5-10-6-11(20-2)7-13(18)15(10)16(19)14(9)12(17)4-8/h3-4,6-7,17-18H,5H2,1-2H3
Mol Wt
270.284
Mol Log P
2.550020000000001
In Ch Ikey
DRQZSQDHMHEDQS-UHFFFAOYSA-N
Tcm Name
酸模
Tcm Name2
SUAN MO
Mol2 Path
/TCM_database/2007_3d_all/17248.mol2
Reference
3206
Num Hdonors
2
Tcm Name En
Garden Sorrel
Drug Likeness
0.713
Num Hacceptors
4
Isomeric Smiles
CC1=CC2=C(C(=C1)O)C(=O)C3=C(C2)C=C(C=C3O)OC
Canonical Smiles
CC1=CC2=C(C(=C1)O)C(=O)C3=C(C2)C=C(C=C3O)OC
Herb Alias Names
Physcionanthrone BPhyscion-9-anthrone3571-31-1ANTHRONE, 1,8-DIHYDROXY-3-METHOXY-6-METHYL-72PNO71IWV9(10H)-Anthracenone, 1,8-dihydroxy-3-methoxy-6-methyl-NSC-179488CCRIS 6423NSC 179488
Molecular Weight
270.28 g/mol
Molecular Formula
C16H14O4
Num Rotatable Bonds
1