Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Target: 12Links: 13
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 32421
- Core Entity Id
- 39229
- Source Entity Count
- 1
- Preferred Name
- Salviolone
- Name En
- Pubchem Id
- 10355691
- Smiles Canonical
- CC1=C(C(=O)C=C2C3=C(C=CC2=C1)C(CCC3)(C)C)O
- Molecular Formula
- C18H20O2
- Molecular Weight
- 268.3560
- Inchikey
- QATRODNHXVHGNU-UHFFFAOYSA-N
- Inchi
- InChI=1S/C18H20O2/c1-11-9-12-6-7-15-13(5-4-8-18(15,2)3)14(12)10-16(19)17(11)20/h6-7,9-10H,4-5,8H2,1-3H3,(H,19,20)
- Isomeric Smiles
- CC1=C(C(=O)C=C2C3=C(C=CC2=C1)C(CCC3)(C)C)O
- Cas Id
- 119400-86-1
- Ob Score
- 31.7240
- Mol Logp
- 3.8279
- Num H Donors
- 1
- Num H Acceptors
- 2
- Num Rotatable Bonds
- 0
- Drug Likeness
- 0.7880
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Salviolone
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
Salviolone
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Salviolone
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Salviolone
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
salviolone
Role
preferred
Source
TCMBank
Preferred
Yes
Name
salviolone
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
119400-86-1
Role
alias
Source
HERB_v2
Preferred
No
Name
119400-86-1
Role
alias
Source
itcmdb_public
Preferred
No
Name
9-hydroxy-4,4,8-trimethyl-2,3-dihydro-1H-cyclohepta[a]naphthalen-10-one
Role
alias
Source
HERB_v2
Preferred
No
Name
9-hydroxy-4,4,8-trimethyl-2,3-dihydro-1H-cyclohepta[a]naphthalen-10-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
9H-Cyclohepta[a]naphthalen-9-one,1,2,3,4- tetrahydro-10-hydroxy-4,4,8-trimethyl-
Role
alias
Source
HERB_v2
Preferred
No
Name
9H-Cyclohepta[a]naphthalen-9-one,1,2,3,4- tetrahydro-10-hydroxy-4,4,8-trimethyl-
Role
alias
Source
itcmdb_public
Preferred
No
Name
AKOS040763459
Role
alias
Source
itcmdb_public
Preferred
No
Name
AKOS040763459
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEMBL5283136
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEMBL5283136
Role
alias
Source
HERB_v2
Preferred
No
Name
DA-57647
Role
alias
Source
itcmdb_public
Preferred
No
Name
DA-57647
Role
alias
Source
HERB_v2
Preferred
No
Name
FS-7554
Role
alias
Source
HERB_v2
Preferred
No
Name
FS-7554
Role
alias
Source
itcmdb_public
Preferred
No
Name
SCHEMBL6361506
Role
alias
Source
HERB_v2
Preferred
No
Name
SCHEMBL6361506
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
119400-86-19-hydroxy-4,4,8-trimethyl-2,3-dihydro-1H-cyclohepta[a]naphthalen-10-one9H-Cyclohepta[a]naphthalen-9-one,1,2,3,4- tetrahydro-10-hydroxy-4,4,8-trimethyl-AKOS040763459CHEMBL5283136DA-57647FS-7554SCHEMBL6361506
Cross References
Trusted external identifiers retained for this final record.
Cas
119400-86-1
Herb
HBIN042927
Tcmid
32440
Tcmsp
MOL007145
Sym Map
SMIT08632
Tcm Id
1282
Pub Chem
10355691
Tcmbank
TCMBANKIN036352
Etcm Ingredient
salviolone
Itcmdb Generated
ITX-INGREDIENT-F3272F0B3510
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C18H20O2/c1-11-9-12-6-7-15-13(5-4-8-18(15,2)3)14(12)10-16(19)17(11)20/h6-7,9-10H,4-5,8H2,1-3H3,(H,19,20)
Mol Wt
268.3559999999999
Cas Id
119400-86-1
Smiles
CC1=C(C(=O)C=C2C3=C(C=CC2=C1)C(CCC3)(C)C)O
Mol Log P
3.827920000000003
Version
v1,v2
In Ch Ikey
QATRODNHXVHGNU-UHFFFAOYSA-N
Ob Score
31.72431.7241531.72415039
Suppress
0
Num Hdonors
1
Drug Likeness
0.788
Num Hacceptors
2
Isomeric Smiles
CC1=C(C(=O)C=C2C3=C(C=CC2=C1)C(CCC3)(C)C)O
Molecule Weight
268.38
Canonical Smiles
CC1=C(C(=O)C=C2C3=C(C=CC2=C1)C(CCC3)(C)C)O
Herb Alias Names
119400-86-19H-Cyclohepta[a]naphthalen-9-one,1,2,3,4- tetrahydro-10-hydroxy-4,4,8-trimethyl-9-hydroxy-4,4,8-trimethyl-2,3-dihydro-1H-cyclohepta[a]naphthalen-10-one9-hydroxy-4,4,8-trimethyl-2,3-dihydro-1H-cyclohepta(a)naphthalen-10-oneSCHEMBL6361506CHEMBL5283136AKOS040763459FS-7554DA-57647
Molecular Weight
268.150
Molecular Weight
268.35
Molecular Formula
C18H20O2
Molecular Formula
C18H20O2
Molecular Formula
C18H20O2
Num Rotatable Bonds
0
Fda Maximum Daily Dose (Fdamdd)
0.905
Quantitative Estimate Of Drug Likeness（Qed）
0.788