Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 2Ingredient: 1Links: 2
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 32086
- Core Entity Id
- 38853
- Source Entity Count
- 1
- Preferred Name
- Royleanone
- Name En
- Pubchem Id
- 442084
- Smiles Canonical
- CC(C)C1=C(C2=C(C(=O)C1=O)C3(CCCC(C3CC2)(C)C)C)O
- Molecular Formula
- C20H28O3
- Molecular Weight
- 316.4410
- Inchikey
- XBJOAZYNSZDFSF-RBZFPXEDSA-N
- Inchi
- InChI=1S/C20H28O3/c1-11(2)14-16(21)12-7-8-13-19(3,4)9-6-10-20(13,5)15(12)18(23)17(14)22/h11,13,21H,6-10H2,1-5H3/t13-,20-/m0/s1
- Isomeric Smiles
- CC(C)C1=C(C2=C(C(=O)C1=O)[C@]3(CCCC([C@@H]3CC2)(C)C)C)O
- Cas Id
- Ob Score
- Mol Logp
- 4.5293
- Num H Donors
- 1
- Num H Acceptors
- 3
- Num Rotatable Bonds
- 1
- Drug Likeness
- 0.5710
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Royleanone
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Royleanone
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Royleanone
Role
preferred
Source
TCMBank
Preferred
Yes
Name
纽西兰罗汉松
Role
TCM_name
Source
TCMBank
Preferred
No
Name
XIN XI LAN LUO HAN SONG
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
New Zealand Podocarpus*
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
6812-87-9
Role
alias
Source
HERB_v2
Preferred
No
Name
6812-87-9
Role
alias
Source
itcmdb_public
Preferred
No
Name
901618Q8AX
Role
alias
Source
HERB_v2
Preferred
No
Name
901618Q8AX
Role
alias
Source
itcmdb_public
Preferred
No
Name
AKOS004901865
Role
alias
Source
HERB_v2
Preferred
No
Name
AKOS004901865
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEBI:8904
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEBI:8904
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEMBL1813341
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEMBL1813341
Role
alias
Source
itcmdb_public
Preferred
No
Name
NSC-122417
Role
alias
Source
HERB_v2
Preferred
No
Name
NSC-122417
Role
alias
Source
itcmdb_public
Preferred
No
Name
NSC753735
Role
alias
Source
itcmdb_public
Preferred
No
Name
NSC753735
Role
alias
Source
HERB_v2
Preferred
No
Name
Podocarpa-8,12-diene-11,14-dione, 12-hydroxy-13-isopropyl-
Role
alias
Source
itcmdb_public
Preferred
No
Name
Podocarpa-8,12-diene-11,14-dione, 12-hydroxy-13-isopropyl-
Role
alias
Source
HERB_v2
Preferred
No
Name
UNII-901618Q8AX
Role
alias
Source
itcmdb_public
Preferred
No
Name
UNII-901618Q8AX
Role
alias
Source
HERB_v2
Preferred
No
Aliases
Additional names normalized into the restored final schema.
纽西兰罗汉松XIN XI LAN LUO HAN SONGNew Zealand Podocarpus*6812-87-9901618Q8AXAKOS004901865CHEBI:8904CHEMBL1813341NSC-122417NSC753735Podocarpa-8,12-diene-11,14-dione, 12-hydroxy-13-isopropyl-UNII-901618Q8AX
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN042497
Npass
NPC312406
Tcmid
18956
Pub Chem
442084
Tcmbank
TCMBANKIN037735
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C20H28O3/c1-11(2)14-16(21)12-7-8-13-19(3,4)9-6-10-20(13,5)15(12)18(23)17(14)22/h11,13,21H,6-10H2,1-5H3/t13-,20-/m0/s1
Mol Wt
316.441
Mol Log P
4.529300000000004
In Ch Ikey
XBJOAZYNSZDFSF-RBZFPXEDSA-N
Tcm Name
纽西兰罗汉松
Tcm Name2
XIN XI LAN LUO HAN SONG
Mol2 Path
/TCM_database/2007_3d_all/18971.mol2
Reference
1521
Num Hdonors
1
Tcm Name En
New Zealand Podocarpus*
Drug Likeness
0.571
Num Hacceptors
3
Isomeric Smiles
CC(C)C1=C(C2=C(C(=O)C1=O)[C@]3(CCCC([C@@H]3CC2)(C)C)C)O
Canonical Smiles
CC(C)C1=C(C2=C(C(=O)C1=O)C3(CCCC(C3CC2)(C)C)C)O
Herb Alias Names
6812-87-9NSC-122417UNII-901618Q8AX901618Q8AXCHEBI:8904CHEMBL1813341Podocarpa-8,12-diene-11,14-dione, 12-hydroxy-13-isopropyl-NSC753735AKOS004901865
Molecular Weight
316.4 g/mol
Molecular Formula
C20H28O3
Num Rotatable Bonds
1