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
- 28565
- Core Entity Id
- 34936
- Source Entity Count
- 1
- Preferred Name
- Onocera-8,14(27)-diene
- Name En
- Pubchem Id
- 21626537
- Smiles Canonical
- CC1=C(C2(CCCC(C2CC1)(C)C)C)CCC3C(=C)CCC4C3(CCCC4(C)C)C
- Molecular Formula
- C30H50
- Molecular Weight
- 410.7300
- Inchikey
- LQIHPUFPPBIWGV-ACKYKACDSA-N
- Inchi
- InChI=1S/C30H50/c1-21-11-15-25-27(3,4)17-9-19-29(25,7)23(21)13-14-24-22(2)12-16-26-28(5,6)18-10-20-30(24,26)8/h23,25-26H,1,9-20H2,2-8H3/t23-,25-,26-,29+,30+/m0/s1
- Isomeric Smiles
- CC1=C([C@]2(CCCC([C@@H]2CC1)(C)C)C)CC[C@H]3C(=C)CC[C@@H]4[C@@]3(CCCC4(C)C)C
- Cas Id
- Ob Score
- Mol Logp
- 9.5083
- Num H Donors
- 0
- Num H Acceptors
- 0
- Num Rotatable Bonds
- 3
- Drug Likeness
- 0.4060
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Onocera-8,14(27)-diene
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Onocera-8,14(27)-diene
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Onocera-8,14(27)-diene
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Onocera-8,14(27)-diene
Role
preferred
Source
TCMBank
Preferred
Yes
Name
螺厣草
Role
TCM_name
Source
TCMBank
Preferred
No
Name
LUO YAN CAO
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Littleleaf Lemmaphyyllum Herb
Role
TCM_name_en
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
螺厣草LUO YAN CAOLittleleaf Lemmaphyyllum Herb
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN038165
Tcmid
16105
Pub Chem
21626537
Tcmbank
TCMBANKIN045201
Etcm Ingredient
Onocera-8,14(27)-diene
Itcmdb Generated
ITX-INGREDIENT-D44242920361
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C30H50/c1-21-11-15-25-27(3,4)17-9-19-29(25,7)23(21)13-14-24-22(2)12-16-26-28(5,6)18-10-20-30(24,26)8/h23,25-26H,1,9-20H2,2-8H3/t23-,25-,26-,29+,30+/m0/s1
Mol Wt
410.7300000000003
Mol Log P
9.508299999999998
In Ch Ikey
LQIHPUFPPBIWGV-ACKYKACDSA-N
Tcm Name
螺厣草
Tcm Name2
LUO YAN CAO
Mol2 Path
/TCM_database/2007_3d_all/16115.mol2
Reference
2838
Num Hdonors
0
Tcm Name En
Littleleaf Lemmaphyyllum Herb
Drug Likeness
0.406
Num Hacceptors
0
Isomeric Smiles
CC1=C([C@]2(CCCC([C@@H]2CC1)(C)C)C)CC[C@H]3C(=C)CC[C@@H]4[C@@]3(CCCC4(C)C)C
Canonical Smiles
CC1=C(C2(CCCC(C2CC1)(C)C)C)CCC3C(=C)CCC4C3(CCCC4(C)C)C
Molecular Weight
410.390
Molecular Formula
C30H50
Molecular Formula
C30H50
Num Rotatable Bonds
3
Fda Maximum Daily Dose (Fdamdd)
0.834
Quantitative Estimate Of Drug Likeness（Qed）
0.406