Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Target: 1Links: 2
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 9987
- Core Entity Id
- 14267
- Source Entity Count
- 1
- Preferred Name
- Albaconol
- Name En
- Pubchem Id
- 5317148
- Smiles Canonical
- CC1=CC(=C(C(=C1)O)CC2C3(CCCC(C3CCC2(C)O)(C)C)C)O
- Molecular Formula
- C22H34O3
- Molecular Weight
- 346.5110
- Inchikey
- APLGGFLATUGFCO-YUVXSKOASA-N
- Inchi
- InChI=1S/C22H34O3/c1-14-11-16(23)15(17(24)12-14)13-19-21(4)9-6-8-20(2,3)18(21)7-10-22(19,5)25/h11-12,18-19,23-25H,6-10,13H2,1-5H3/t18-,19+,21-,22+/m0/s1
- Isomeric Smiles
- CC1=CC(=C(C(=C1)O)C[C@@H]2[C@]3(CCCC([C@@H]3CC[C@@]2(C)O)(C)C)C)O
- Cas Id
- Ob Score
- Mol Logp
- 4.9423
- Num H Donors
- 3
- Num H Acceptors
- 3
- Num Rotatable Bonds
- 2
- Drug Likeness
- 0.7100
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Albaconol
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Albaconol
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Albaconol
Role
preferred
Source
TCMBank
Preferred
Yes
Name
云南地花菌
Role
TCM_name
Source
TCMBank
Preferred
No
Name
YUN NAN DI HUA JUN
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Yunnan Landflower Mushroom*
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
2-[[(1R,2R,4aS,8aS)-2-hydroxy-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]methyl]-5-methylbenzene-1,3-diol
Role
alias
Source
itcmdb_public
Preferred
No
Name
2-[[(1R,2R,4aS,8aS)-2-hydroxy-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]methyl]-5-methylbenzene-1,3-diol
Role
alias
Source
HERB_v2
Preferred
No
Name
BDBM50260043
Role
alias
Source
itcmdb_public
Preferred
No
Name
BDBM50260043
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEBI:202365
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEBI:202365
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEMBL512488
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEMBL512488
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
云南地花菌YUN NAN DI HUA JUNYunnan Landflower Mushroom*2-[[(1R,2R,4aS,8aS)-2-hydroxy-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]methyl]-5-methylbenzene-1,3-diolBDBM50260043CHEBI:202365CHEMBL512488
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN015049
Npass
NPC206
Tcmid
843
Pub Chem
5317148
Tcmbank
TCMBANKIN049842
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C22H34O3/c1-14-11-16(23)15(17(24)12-14)13-19-21(4)9-6-8-20(2,3)18(21)7-10-22(19,5)25/h11-12,18-19,23-25H,6-10,13H2,1-5H3/t18-,19+,21-,22+/m0/s1
Mol Wt
346.511
Mol Log P
4.942320000000006
In Ch Ikey
APLGGFLATUGFCO-YUVXSKOASA-N
Tcm Name
云南地花菌
Tcm Name2
YUN NAN DI HUA JUN
Mol2 Path
/TCM_database/2007_3d_all/00843.mol2
Reference
2271, 5014, 5431
Num Hdonors
3
Tcm Name En
Yunnan Landflower Mushroom*
Drug Likeness
0.71
Num Hacceptors
3
Isomeric Smiles
CC1=CC(=C(C(=C1)O)C[C@@H]2[C@]3(CCCC([C@@H]3CC[C@@]2(C)O)(C)C)C)O
Canonical Smiles
CC1=CC(=C(C(=C1)O)CC2C3(CCCC(C3CCC2(C)O)(C)C)C)O
Herb Alias Names
CHEMBL5124882-[[(1R,2R,4aS,8aS)-2-hydroxy-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]methyl]-5-methylbenzene-1,3-diol2-(((1R,2R,4aS,8aS)-2-hydroxy-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl)methyl)-5-methylbenzene-1,3-diolCHEBI:202365BDBM50260043
Molecular Weight
346.5 g/mol
Molecular Formula
C22H34O3
Num Rotatable Bonds
2