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
- 31604
- Core Entity Id
- 38317
- Source Entity Count
- 1
- Preferred Name
- Ramanone
- Name En
- Pubchem Id
- 68807316
- Smiles Canonical
- CC(=O)C1CCC2(C1(C(CC3C2CC=C4C3(CCC(C4)O)C)O)C)O
- Molecular Formula
- C21H32O4
- Molecular Weight
- 348.4830
- Inchikey
- NWFNMRFBJUONKD-TWHJCCPZSA-N
- Inchi
- InChI=1S/C21H32O4/c1-12(22)15-7-9-21(25)16-5-4-13-10-14(23)6-8-19(13,2)17(16)11-18(24)20(15,21)3/h4,14-18,23-25H,5-11H2,1-3H3/t14-,15+,16+,17-,18+,19-,20-,21-/m0/s1
- Isomeric Smiles
- CC(=O)[C@H]1CC[C@]2([C@@]1([C@@H](C[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)O)C)O
- Cas Id
- Ob Score
- 39.9669
- Mol Logp
- 2.6010
- Num H Donors
- 3
- Num H Acceptors
- 4
- Num Rotatable Bonds
- 1
- Drug Likeness
- 0.6370
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Ramanone
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Ramanone
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Ramanone
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
萝藦子
Role
TCM_name
Source
TCMBank
Preferred
No
Name
LUO MO ZI
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Japanese Metaplexis Seed
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
SCHEMBL3833370
Role
alias
Source
HERB_v2
Preferred
No
Name
SCHEMBL3833370
Role
alias
Source
itcmdb_public
Preferred
No
Name
ramanone isoramanone
Role
alias
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
萝藦子LUO MO ZIJapanese Metaplexis SeedSCHEMBL3833370ramanone isoramanone
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN041918
Tcmid
18513
Pub Chem
68807316
Tcmbank
TCMBANKIN013620TCMBANKIN058945
Itcmdb Generated
ITX-INGREDIENT-40C1A32358BA
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C21H32O4/c1-12(22)15-7-9-21(25)16-5-4-13-10-14(23)6-8-19(13,2)17(16)11-18(24)20(15,21)3/h4,14-18,23-25H,5-11H2,1-3H3/t14-,15+,16+,17-,18+,19-,20-,21-/m0/s1
Mol Wt
348.4830000000001
Smiles
CC(=O)C1CCC2(C1(C(CC3C2CC=C4C3(CCC(C4)O)C)O)C)O
Mol Log P
2.601000000000001
In Ch Ikey
NWFNMRFBJUONKD-TWHJCCPZSA-N
Ob Score
39.966857
Tcm Name
萝藦子
Tcm Name2
LUO MO ZI
Mol2 Path
/TCM_database/2007_3d_all/18528.mol2
Reference
660
Num Hdonors
3
Tcm Name En
Japanese Metaplexis Seed
Drug Likeness
0.637
Num Hacceptors
4
Isomeric Smiles
CC(=O)[C@H]1CC[C@]2([C@@]1([C@@H](C[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)O)C)O
Canonical Smiles
CC(=O)C1CCC2(C1(C(CC3C2CC=C4C3(CCC(C4)O)C)O)C)O
Herb Alias Names
SCHEMBL3833370
Molecular Weight
348.48
Molecular Formula
C21H32O4
Molecular Formula
C21H32O4
Num Rotatable Bonds
1