Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 3Ingredient: 1Links: 3
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 33138
- Core Entity Id
- 40027
- Source Entity Count
- 1
- Preferred Name
- Serratene
- Name En
- Pubchem Id
- 605865
- Smiles Canonical
- CC1(CCCC2(C1CCC3(C2CCC4C(=CCC5C4(CCCC5(C)C)C)C3)C)C)C
- Molecular Formula
- C30H50
- Molecular Weight
- 410.7300
- Inchikey
- NIALLGCBSYYMNQ-UHFFFAOYSA-N
- Inchi
- InChI=1S/C30H50/c1-26(2)15-8-17-29(6)22-11-13-25-28(5,20-21(22)10-12-23(26)29)19-14-24-27(3,4)16-9-18-30(24,25)7/h10,22-25H,8-9,11-20H2,1-7H3
- Isomeric Smiles
- CC1(CCCC2(C1CCC3(C2CCC4C(=CCC5C4(CCCC5(C)C)C)C3)C)C)C
- Cas Id
- Ob Score
- Mol Logp
- 9.1981
- Num H Donors
- 0
- Num H Acceptors
- 0
- Num Rotatable Bonds
- 0
- Drug Likeness
- 0.3490
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Serratene
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Serratene
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Serratene
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
serratene
Role
preferred
Source
TCMBank
Preferred
Yes
Name
.delta.14-Serratene
Role
alias
Source
HERB_v2
Preferred
No
Name
.delta.14-Serratene
Role
alias
Source
itcmdb_public
Preferred
No
Name
C(14a)-Homo-27-norgammacer-14-ene
Role
alias
Source
itcmdb_public
Preferred
No
Name
C(14a)-Homo-27-norgammacer-14-ene
Role
alias
Source
HERB_v2
Preferred
No
Name
NIALLGCBSYYMNQ-UHFFFAOYSA-N
Role
alias
Source
itcmdb_public
Preferred
No
Name
NIALLGCBSYYMNQ-UHFFFAOYSA-N
Role
alias
Source
HERB_v2
Preferred
No
Name
Serraten
Role
alias
Source
HERB_v2
Preferred
No
Name
Serraten
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
.delta.14-SerrateneC(14a)-Homo-27-norgammacer-14-eneNIALLGCBSYYMNQ-UHFFFAOYSA-NSerraten
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN043787
Tcmid
19752
Pub Chem
605865
Tcmbank
TCMBANKIN026439
Etcm Ingredient
Serratene
Itcmdb Generated
ITX-INGREDIENT-4567FF49FC19
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C30H50/c1-26(2)15-8-17-29(6)22-11-13-25-28(5,20-21(22)10-12-23(26)29)19-14-24-27(3,4)16-9-18-30(24,25)7/h10,22-25H,8-9,11-20H2,1-7H3
Mol Wt
410.7300000000003
Smiles
CC1(CCCC2(C1CCC3(C2CCC4C(=CCC5C4(CCCC5(C)C)C)C3)C)C)C
Mol Log P
9.198100000000002
In Ch Ikey
NIALLGCBSYYMNQ-UHFFFAOYSA-N
Num Hdonors
0
Drug Likeness
0.349
Num Hacceptors
0
Isomeric Smiles
CC1(CCCC2(C1CCC3(C2CCC4C(=CCC5C4(CCCC5(C)C)C)C3)C)C)C
Canonical Smiles
CC1(CCCC2(C1CCC3(C2CCC4C(=CCC5C4(CCCC5(C)C)C)C3)C)C)C
Herb Alias Names
Serraten.delta.14-SerrateneNIALLGCBSYYMNQ-UHFFFAOYSA-NC(14a)-Homo-27-norgammacer-14-ene
Molecular Weight
410.390
Molecular Formula
C30H50
Molecular Formula
C30H50
Molecular Formula
C30H50
Num Rotatable Bonds
0
Fda Maximum Daily Dose (Fdamdd)
0.867
Quantitative Estimate Of Drug Likeness（Qed）
0.349